N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(thiazol-2-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-(2-thiazolylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(thiazol-2-ylmethyl)acetamide Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N(C)CC2=NC=CS2

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N(C)CC2=NC=CS2

InChI

InChI=1S/C16H26N4O2S/c1-12(2)4-7-20-8-5-18-16(22)13(20)10-15(21)19(3)11-14-17-6-9-23-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,22)/p+1/t13-/m1/s1