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

Systemtic Name: (3R)-4-[(3-fluorophenyl)methyl]-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3-fluorophenyl)methyl]-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(3-fluorophenyl)methyl]-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3-fluorophenyl)methyl]-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(3-fluorobenzyl)-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C21H26FN6O2+ MolecularWeight: 413.468543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H25FN6O2/c22-17-4-1-3-16(13-17)15-28-8-7-23-20(30)18(28)14-19(29)26-9-11-27(12-10-26)21-24-5-2-6-25-21/h1-6,13,18H,7-12,14-15H2,(H,23,30)/p+1/t18-/m1/s1