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

Systemtic Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethyl-aniline; methyl sulfate Openeye Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethyl-aniline; methyl sulfate CAS Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N,N-dimethylaniline; methyl sulfate IUPAC Name: 4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline; methyl sulfate Traditional Name: [4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-dimethyl-amine; methyl sulfate Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N4OS.CH4O4S/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;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1