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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-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]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C16H23N4O2+ MolecularWeight: 303.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2/c21-15(12-14-16(22)18-7-6-17-14)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,18,22)/p+1/t14-/m1/s1