23723895 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 17 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 -1 6 1 1 1 1 1 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 16 17 18 19 19 20 2 3 4 5 8 10 14 17 30 31 9 12 11 15 13 16 13 21 17 22 23 19 24 18 25 20 26 18 27 20 28 29 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 2.762 1.896 3.628 2.262 3.262 2.3358 4.0799 3.2018 4.0678 2.3358 4.0678 3.1857 3.2018 1.4418 4.9778 1.4418 4.0838 4.9858 0.5357 0.5357 4.6047 2.6452 3.2018 1.449 5.5111 1.449 5.524 0 0 4.6156 3.5418 0.866 0.366 1.366 1.732 0 5.9263 8.9956 6.4263 5.9263 4.9263 4.9263 7.4678 4.4263 6.461 6.4332 4.3917 7.9956 7.4748 5.9471 4.9055 4.6163 7.7716 3.8063 7.0809 6.117 3.7717 7.7827 6.2592 4.5934 9.3076 9.3035 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 6 8 8 9 9 10 10 11 12 14 15 16 17 19 8 10 14 9 12 11 15 13 16 13 17 19 18 20 18 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 324 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07338000400000000000000000000000000000000003C5880000000000000B1FE00001C00100000000C08C11E043CC0F34C1800A0033467440082802031022008D8203864980820E2C0D1D1842408609000C8C8071080C00E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[c]quinolizin-11-ium-9-amine;perchlorate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 9-benzo[c]quinolizin-11-iumamine;perchlorate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[c]quinolizin-11-ium-9-amine;perchlorate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[c]quinolizin-11-ium-9-amine;perchlorate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[c]quinolizin-11-ium-9-amine;perchlorate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 benzo[c]quinolizin-11-ium-9-ylamine;perchlorate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H10N2.ClHO4/c14-11-6-4-10-5-7-12-3-1-2-8-15(12)13(10)9-11;2-1(3,4)5/h1-9,14H;(H,2,3,4,5) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RIQVDGHIUAGSRR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.0407345 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H11ClN2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.69 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)N.[O-]Cl(=O)(=O)=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=[N+]2C(=C1)C=CC3=C2C=C(C=C3)N.[O-]Cl(=O)(=O)=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 294.0407345 20 0 0 0 0 0 0 0 2 -1