(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(4,5-dimethyl-2-thiazolyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C13H23N4O3S2+ MolecularWeight: 347.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C13H22N4O3S2/c1-9(8-22(19,20)17-6-4-14-5-7-17)12(18)16-13-15-10(2)11(3)21-13/h9,14H,4-8H2,1-3H3,(H,15,16,18)/p+1/t9-/m1/s1