(3S)-N-(phenylmethyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(phenylmethyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-benzyl-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(phenylmethyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-benzyl-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O/c28-23(24-18-20-8-3-1-4-9-20)27-13-7-12-22(19-27)26-16-14-25(15-17-26)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,24,28)/p+1/t22-/m0/s1