70702447 -OEChem-03292405432D 46 47 0 0 0 0 0 0 0999 V2000 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 2 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 2 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 5 1 M END > 70702447 > 1 > 401 > 4 > 0 > 9 > AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAAAAAADAThmgY+jpMMFACoAjj3zACCiCA1IiAI2CE+7NgNJvrEtZuGO6rmwBHK6cea3RLOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > (4-formyl-2-methoxy-phenyl) 1-pentylpyridin-1-ium-3-carboxylate > 1-pentyl-3-pyridin-1-iumcarboxylic acid (4-formyl-2-methoxyphenyl) ester > (4-formyl-2-methoxyphenyl) 1-pentylpyridin-1-ium-3-carboxylate > (4-formyl-2-methoxyphenyl) 1-pentylpyridin-1-ium-3-carboxylate > (4-methanoyl-2-methoxy-phenyl) 1-pentylpyridin-1-ium-3-carboxylate > 1-amylpyridin-1-ium-3-carboxylic acid (4-formyl-2-methoxy-phenyl) ester > InChI=1S/C19H22NO4/c1-3-4-5-10-20-11-6-7-16(13-20)19(22)24-17-9-8-15(14-21)12-18(17)23-2/h6-9,11-14H,3-5,10H2,1-2H3/q+1 > LXZMEGJWCYXPLN-UHFFFAOYSA-N > 3.6 > 328.15488318 > C19H22NO4+ > 328.4 > CCCCC[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC > CCCCC[N+]1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC > 56.5 > 328.15488318 > 1 > 24 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 11 14 8 13 15 8 14 15 8 17 18 8 17 19 8 18 20 8 19 22 8 20 21 8 21 22 8 5 10 8 5 11 8 $$$$