N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2S)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2S)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(4,5-dimethylthiazol-2-yl)methyl]-2-[(2S)-1-methyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(4,5-dimethyl-2-thiazolyl)methyl]-2-[(2S)-1-methyl-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(2S)-1-methyl-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(4,5-dimethylthiazol-2-yl)methyl]-2-[(2S)-3-keto-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CNC(=O)CC2C(=O)NCC[NH+]2C)C

Isomeric SMILES

CC1=C(SC(=N1)CNC(=O)C[C@H]2C(=O)NCC[NH+]2C)C

InChI

InChI=1S/C13H20N4O2S/c1-8-9(2)20-12(16-8)7-15-11(18)6-10-13(19)14-4-5-17(10)3/h10H,4-7H2,1-3H3,(H,14,19)(H,15,18)/p+1/t10-/m0/s1