methyl 4-(4,5-dimethyl-2,3-dihydro-1,2-thiazol-2-ium-2-yl)benzoate perchlorate

Systemtic Name: methyl 4-(4,5-dimethyl-2,3-dihydro-1,2-thiazol-2-ium-2-yl)benzoate perchlorate Openeye Name: methyl 4-(4,5-dimethyl-2,3-dihydroisothiazol-2-ium-2-yl)benzoate perchlorate CAS Name: 4-(4,5-dimethyl-2,3-dihydroisothiazol-2-ium-2-yl)benzoic acid methyl ester perchlorate IUPAC Name: methyl 4-(4,5-dimethyl-2,3-dihydro-1,2-thiazol-2-ium-2-yl)benzoate perchlorate Traditional Name: 4-(4,5-dimethyl-4-isothiazolin-2-ium-2-yl)benzoic acid methyl ester perchlorate Formula: C13H16ClNO6S MolecularWeight: 349.78724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S[NH+](C1)C2=CC=C(C=C2)C(=O)OC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(S[NH+](C1)C2=CC=C(C=C2)C(=O)OC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H15NO2S.ClHO4/c1-9-8-14(17-10(9)2)12-6-4-11(5-7-12)13(15)16-3;2-1(3,4)5/h4-7H,8H2,1-3H3;(H,2,3,4,5)