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

Systemtic Name: 2-(3-methylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(m-tolyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(3-methylphenyl)-N-(4-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-(pyridin-1-ium-4-ylmethyl)cinchoninamide Formula: C23H20N3O+ MolecularWeight: 354.4244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O/c1-16-5-4-6-18(13-16)22-14-20(19-7-2-3-8-21(19)26-22)23(27)25-15-17-9-11-24-12-10-17/h2-14H,15H2,1H3,(H,25,27)/p+1