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

Systemtic Name: (3R)-4-(2-methylpropyl)-3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isobutyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2-methylpropyl)-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isobutyl-3-[2-keto-2-(4-pyrazin-2-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C18H28N6O2/c1-14(2)13-24-6-5-21-18(26)15(24)11-17(25)23-9-7-22(8-10-23)16-12-19-3-4-20-16/h3-4,12,14-15H,5-11,13H2,1-2H3,(H,21,26)/p+1/t15-/m1/s1