2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[(4-phenylthiazol-5-yl)methyl]acetamide CAS Name: 2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]-N-[(4-phenyl-5-thiazolyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-[(4-phenylthiazol-5-yl)methyl]acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCC2=C(N=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=C(N=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-14(2)12-24-9-8-21-20(26)16(24)10-18(25)22-11-17-19(23-13-27-17)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3,(H,21,26)(H,22,25)/p+1/t16-/m1/s1