N-[2-(4-methylphenyl)ethyl]-2-pyridin-1-ium-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-2-pyridin-1-ium-3-yl-quinoline-4-carboxamide Openeye Name: N-[2-(p-tolyl)ethyl]-2-pyridin-1-ium-3-yl-quinoline-4-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-2-(3-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-2-pyridin-1-ium-3-ylquinoline-4-carboxamide Traditional Name: N-[2-(p-tolyl)ethyl]-2-pyridin-1-ium-3-yl-cinchoninamide Formula: C24H22N3O+ MolecularWeight: 368.45098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C[NH+]=CC=C4

InChI

InChI=1S/C24H21N3O/c1-17-8-10-18(11-9-17)12-14-26-24(28)21-15-23(19-5-4-13-25-16-19)27-22-7-3-2-6-20(21)22/h2-11,13,15-16H,12,14H2,1H3,(H,26,28)/p+1