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

Systemtic Name: 2-(4-ethoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[3-(1-piperidin-1-iumyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-4-carboxamide Traditional Name: N-(3-piperidin-1-ium-1-ylpropyl)-2-p-phenetyl-cinchoninamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC[NH+]4CCCCC4

InChI

InChI=1S/C26H31N3O2/c1-2-31-21-13-11-20(12-14-21)25-19-23(22-9-4-5-10-24(22)28-25)26(30)27-15-8-18-29-16-6-3-7-17-29/h4-5,9-14,19H,2-3,6-8,15-18H2,1H3,(H,27,30)/p+1