N-cyclopentyl-4-ethanoyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide

Systemtic Name: N-cyclopentyl-4-ethanoyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Openeye Name: 4-acetyl-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide CAS Name: 4-acetyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-acetyl-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Traditional Name: 4-acetyl-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]benzamide Formula: C29H39N2O2+ MolecularWeight: 447.63216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C29H38N2O2/c1-22-7-3-4-8-25(22)17-20-30-18-15-24(16-19-30)21-31(28-9-5-6-10-28)29(33)27-13-11-26(12-14-27)23(2)32/h3-4,7-8,11-14,24,28H,5-6,9-10,15-21H2,1-2H3/p+1