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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C14H21N6O2+ MolecularWeight: 305.35554

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H20N6O2/c21-12(10-11-13(22)16-5-4-15-11)19-6-8-20(9-7-19)14-17-2-1-3-18-14/h1-3,11,15H,4-10H2,(H,16,22)/p+1/t11-/m1/s1