(3R)-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[(4-phenylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-pyrrolidino-ethyl)-4-(4-phenylbenzyl)piperazin-4-ium-2-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22(25-13-4-5-14-25)16-21-23(28)24-12-15-26(21)17-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-17H2,(H,24,28)/p+1/t21-/m1/s1