(3S)-N-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxamide

Systemtic Name: (3S)-N-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-piperidine-1-carboxamide Openeye Name: (3S)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-N-phenyl-piperidine-1-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-23(27-16-14-26(15-17-27)18-20-8-3-1-4-9-20)21-10-7-13-28(19-21)24(30)25-22-11-5-2-6-12-22/h1-6,8-9,11-12,21H,7,10,13-19H2,(H,25,30)/p+1/t21-/m0/s1