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

Systemtic Name: 4-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(4,5-dimethylthiazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(4,5-dimethyl-3-thiazol-3-iumyl)-1-butanesulfonate IUPAC Name: 4-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(4,5-dimethylthiazol-3-ium-3-yl)butane-1-sulfonate Formula: C9H15NO3S2 MolecularWeight: 249.3503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO3S2/c1-8-9(2)14-7-10(8)5-3-4-6-15(11,12)13/h7H,3-6H2,1-2H3