2-(3,4-dimethylphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[3-(1-piperidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)cinchoninamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCC4)C

InChI

InChI=1S/C26H31N3O/c1-19-11-12-21(17-20(19)2)25-18-23(22-9-4-5-10-24(22)28-25)26(30)27-13-8-16-29-14-6-3-7-15-29/h4-5,9-12,17-18H,3,6-8,13-16H2,1-2H3,(H,27,30)/p+1