N,2-dicyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: N,2-dicyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]quinoline-4-carboxamide Openeye Name: N,2-dicyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]quinoline-4-carboxamide CAS Name: N,2-dicyclopropyl-N-[[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: N,2-dicyclopropyl-N-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]quinoline-4-carboxamide Traditional Name: N,2-dicyclopropyl-N-[3-(2-piperidin-1-ium-1-ylethoxy)benzyl]cinchoninamide Formula: C30H36N3O2+ MolecularWeight: 470.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CN(C3CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CN(C3CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

InChI

InChI=1S/C30H35N3O2/c34-30(27-20-29(23-11-12-23)31-28-10-3-2-9-26(27)28)33(24-13-14-24)21-22-7-6-8-25(19-22)35-18-17-32-15-4-1-5-16-32/h2-3,6-10,19-20,23-24H,1,4-5,11-18,21H2/p+1