1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O/c1-16(18-7-3-2-4-8-18)23-21(25)19-10-12-24(13-11-19)15-17-6-5-9-20(22)14-17/h2-9,14,16,19H,10-13,15H2,1H3,(H,23,25)/p+1/t16-/m0/s1