1-cyclohexyl-4-[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one

Systemtic Name: 1-cyclohexyl-4-[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazin-2-one Openeye Name: 1-cyclohexyl-4-[2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazin-2-one CAS Name: 1-cyclohexyl-4-[2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-2-piperazinone IUPAC Name: 1-cyclohexyl-4-[2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetyl]piperazin-2-one Traditional Name: 1-cyclohexyl-4-[2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetyl]piperazin-2-one Formula: C21H37N4O3+ MolecularWeight: 393.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N2CCN(C(=O)C2)C3CCCCC3

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCN(C(=O)C2)C3CCCCC3

InChI

InChI=1S/C21H36N4O3/c1-16(2)8-10-23-11-9-22-21(28)18(23)14-19(26)24-12-13-25(20(27)15-24)17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3,(H,22,28)/p+1/t18-/m1/s1