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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-pyridin-1-ium-3-yl-quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(3-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-pyridin-1-ium-3-ylquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-pyridin-1-ium-3-yl-cinchoninamide Formula: C23H20N3O+ MolecularWeight: 354.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C[NH+]=CC=C4)C

InChI

InChI=1S/C23H19N3O/c1-15-9-10-17(12-16(15)2)22-13-20(19-7-3-4-8-21(19)26-22)23(27)25-18-6-5-11-24-14-18/h3-14H,1-2H3,(H,25,27)/p+1