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

Systemtic Name: (3S)-N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(4-chlorophenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C22H28ClN4O+ MolecularWeight: 399.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27ClN4O/c23-18-8-10-19(11-9-18)24-22(28)27-12-4-7-21(17-27)26-15-13-25(14-16-26)20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-17H2,(H,24,28)/p+1/t21-/m0/s1