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

Systemtic Name: 4-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(4,5-dimethylthiazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(4,5-dimethyl-3-thiazol-3-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(4,5-dimethylthiazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C9H16NO3S2+ MolecularWeight: 250.35824

Click to see the large picture

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/p+1