2551
  -OEChem-05112408032D

 25 24  0     0  0  0  0  0  0999 V2000
    5.4641    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
2551

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
117

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADhgAYCCANABAAIAAAAGAAAAAAAAAAAAAAIAAECAAAAAAAJAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-carbamoyloxyethyl(trimethyl)ammonium

> <PUBCHEM_IUPAC_CAS_NAME>
2-carbamoyloxyethyl(trimethyl)ammonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-carbamoyloxyethyl(trimethyl)azanium

> <PUBCHEM_IUPAC_NAME>
2-carbamoyloxyethyl(trimethyl)azanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-aminocarbonyloxyethyl(trimethyl)azanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-carbamoyloxyethyl(trimethyl)ammonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
VPJXQGSRWJZDOB-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3_AA>
-0.4

> <PUBCHEM_EXACT_MASS>
147.113352725

> <PUBCHEM_MOLECULAR_FORMULA>
C6H15N2O2+

> <PUBCHEM_MOLECULAR_WEIGHT>
147.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)CCOC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)CCOC(=O)N

> <PUBCHEM_CACTVS_TPSA>
52.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
147.113352725

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$