N-(2-chlorophenyl)-3-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propionamide Formula: C23H28ClN2O2+ MolecularWeight: 399.93362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C23H27ClN2O2/c1-17(27)20-6-4-5-19(15-20)16-26-13-11-18(12-14-26)9-10-23(28)25-22-8-3-2-7-21(22)24/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)/p+1