(3S)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3S)-3-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C16H22ClN4O2+ MolecularWeight: 337.82448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O2/c17-12-2-1-3-13(10-12)20-6-8-21(9-7-20)15(22)11-14-16(23)19-5-4-18-14/h1-3,10,14,18H,4-9,11H2,(H,19,23)/p+1/t14-/m0/s1