(3S)-N-(2-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide

Systemtic Name: (3S)-N-(2-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(2-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(2-chlorophenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2-chlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(2-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=CC=C2Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2Cl)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27ClN4O/c23-20-10-4-5-11-21(20)24-22(28)27-12-6-9-19(17-27)26-15-13-25(14-16-26)18-7-2-1-3-8-18/h1-5,7-8,10-11,19H,6,9,12-17H2,(H,24,28)/p+1/t19-/m0/s1