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

Systemtic Name: 2-(3-methylphenyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide Openeye Name: 2-(m-tolyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide CAS Name: 2-(3-methylphenyl)-N-(4-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-methylphenyl)-N-pyridin-1-ium-4-ylquinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-pyridin-1-ium-4-yl-cinchoninamide Formula: C22H18N3O+ MolecularWeight: 340.39782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O/c1-15-5-4-6-16(13-15)21-14-19(18-7-2-3-8-20(18)25-21)22(26)24-17-9-11-23-12-10-17/h2-14H,1H3,(H,23,24,26)/p+1