3-methyl-2-(4-methylphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 3-methyl-2-(4-methylphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 3-methyl-2-(p-tolyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide CAS Name: 3-methyl-2-(4-methylphenyl)-N-(3-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 3-methyl-2-(4-methylphenyl)-N-(pyridin-1-ium-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 3-methyl-2-(p-tolyl)-N-(pyridin-1-ium-3-ylmethyl)cinchoninamide Formula: C24H22N3O+ MolecularWeight: 368.45098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C24H21N3O/c1-16-9-11-19(12-10-16)23-17(2)22(20-7-3-4-8-21(20)27-23)24(28)26-15-18-6-5-13-25-14-18/h3-14H,15H2,1-2H3,(H,26,28)/p+1