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

Systemtic Name: (3S)-N-(2-phenylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Openeye Name: (3S)-N-(2-phenylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide CAS Name: (3S)-N-(2-phenylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(2-phenylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Traditional Name: (3S)-N-(2-phenylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C28H33N4O+ MolecularWeight: 441.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O/c33-28(29-27-16-8-7-15-26(27)23-10-3-1-4-11-23)32-17-9-14-25(22-32)31-20-18-30(19-21-31)24-12-5-2-6-13-24/h1-8,10-13,15-16,25H,9,14,17-22H2,(H,29,33)/p+1/t25-/m0/s1