3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(4,5-dimethylthiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(4,5-dimethyl-3-thiazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(4,5-dimethylthiazol-3-ium-3-yl)propane-1-sulfonate Formula: C8H13NO3S2 MolecularWeight: 235.32372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1=C(SC=[N+]1CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C8H13NO3S2/c1-7-8(2)13-6-9(7)4-3-5-14(10,11)12/h6H,3-5H2,1-2H3