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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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