4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate

Systemtic Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate Openeye Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate CAS Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethylaniline; 4-methylbenzenesulfonate IUPAC Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline; 4-methylbenzenesulfonate Traditional Name: [4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-dimethyl-amine tosylate Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C17H19N4OS.C7H8O3S/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-6-2-4-7(5-3-6)11(8,9)10/h5-11H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1