5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium tosylate Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC(=C2)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC(=C2)OC)C

InChI

InChI=1S/C10H12NOS.C7H8O3S/c1-7-11(2)9-6-8(12-3)4-5-10(9)13-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1