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

Systemtic Name: (3R)-4-(3-methylbutyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isopentyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isoamyl-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]piperazin-4-ium-2-one Formula: C19H31N6O2+ MolecularWeight: 375.48844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6O2/c1-15(2)4-8-23-9-7-20-18(27)16(23)14-17(26)24-10-12-25(13-11-24)19-21-5-3-6-22-19/h3,5-6,15-16H,4,7-14H2,1-2H3,(H,20,27)/p+1/t16-/m1/s1