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

Systemtic Name: (3R)-4-(3-methylbutyl)-3-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-isopentyl-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(3-methylbutyl)-3-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-isoamyl-3-[2-keto-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]piperazin-4-ium-2-one Formula: C20H33N6O2+ MolecularWeight: 389.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H32N6O2/c1-16(2)5-11-24-12-8-21-19(28)17(24)15-18(27)25-9-4-10-26(14-13-25)20-22-6-3-7-23-20/h3,6-7,16-17H,4-5,8-15H2,1-2H3,(H,21,28)/p+1/t17-/m1/s1