N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[(2-methoxyphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-(2-methoxyanilino)-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-(o-anisidino)cinchoninamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCCC4

InChI

InChI=1S/C26H32N4O2/c1-32-24-14-7-6-13-23(24)29-25-19-21(20-11-4-5-12-22(20)28-25)26(31)27-15-10-18-30-16-8-2-3-9-17-30/h4-7,11-14,19H,2-3,8-10,15-18H2,1H3,(H,27,31)(H,28,29)/p+1