N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]acetamide Formula: C16H28N5O2S+ MolecularWeight: 354.49082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCCSC2=NC=CN2C

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCSC2=NC=CN2C

InChI

InChI=1S/C16H27N5O2S/c1-12(2)11-21-8-5-18-15(23)13(21)10-14(22)17-6-9-24-16-19-4-7-20(16)3/h4,7,12-13H,5-6,8-11H2,1-3H3,(H,17,22)(H,18,23)/p+1/t13-/m1/s1