(3R)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4-(phenylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-benzyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(phenylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-benzyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-benzyl-3-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C23H29N4O2+ MolecularWeight: 393.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c28-22(26-15-13-25(14-16-26)20-9-5-2-6-10-20)17-21-23(29)24-11-12-27(21)18-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,24,29)/p+1/t21-/m1/s1