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

Systemtic Name: (3R)-4-(3-methylbutyl)-3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isopentyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isoamyl-3-[2-keto-2-(4-pyrazin-2-ylpiperazino)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=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6O2/c1-15(2)3-7-23-8-6-22-19(27)16(23)13-18(26)25-11-9-24(10-12-25)17-14-20-4-5-21-17/h4-5,14-16H,3,6-13H2,1-2H3,(H,22,27)/p+1/t16-/m1/s1