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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzylpiperazino)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C17H25N4O2+ MolecularWeight: 317.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4O2/c22-16(12-15-17(23)19-7-6-18-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-5,15,18H,6-13H2,(H,19,23)/p+1/t15-/m1/s1