2-(3-methoxyphenyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-(3-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-pyridin-1-ium-3-ylquinoline-4-carboxamide Traditional Name: 2-(3-methoxyphenyl)-N-pyridin-1-ium-3-yl-cinchoninamide Formula: C22H18N3O2+ MolecularWeight: 356.39722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4

InChI

InChI=1S/C22H17N3O2/c1-27-17-8-4-6-15(12-17)21-13-19(18-9-2-3-10-20(18)25-21)22(26)24-16-7-5-11-23-14-16/h2-14H,1H3,(H,24,26)/p+1