2-(3-azanyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: 2-(3-azanyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate Openeye Name: 2-(3-amino-4-methyl-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate CAS Name: 2-(3-amino-4-methyl-5-thiazol-3-iumyl)ethanol; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: 2-(3-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate Traditional Name: 2-(3-amino-4-methyl-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.CC1=C(SC=[N+]1N)CCO

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.CC1=C(SC=[N+]1N)CCO

InChI

InChI=1S/C9H12O3S.C6H11N2OS/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;1-5-6(2-3-9)10-4-8(5)7/h3-5H,6H2,1-2H3,(H,10,11,12);4,9H,2-3,7H2,1H3/q;+1/p-1