3-(2-methyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-methylthiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-3-thiazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(2-methyl-1,3-thiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2-methylthiazol-3-ium-3-yl)propane-1-sulfonate Formula: C7H11NO3S2 MolecularWeight: 221.29714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CS1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CS1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C7H11NO3S2/c1-7-8(4-5-12-7)3-2-6-13(9,10)11/h4-5H,2-3,6H2,1H3