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

Systemtic Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C16H22FN4O2+ MolecularWeight: 321.369883

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C16H21FN4O2/c17-12-3-1-2-4-14(12)20-7-9-21(10-8-20)15(22)11-13-16(23)19-6-5-18-13/h1-4,13,18H,5-11H2,(H,19,23)/p+1/t13-/m1/s1