2-[[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]-methyl-amino]ethanol; methyl sulfate

Systemtic Name: 2-[[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]-methyl-amino]ethanol; methyl sulfate Openeye Name: 2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-anilino]ethanol; methyl sulfate CAS Name: 2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methylanilino]ethanol; methyl sulfate IUPAC Name: 2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methylanilino]ethanol; methyl sulfate Traditional Name: 2-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-anilino]ethanol; methyl sulfate Formula: C19H24N4O6S2 MolecularWeight: 468.54706

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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)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N4O2S.CH4O4S/c1-21(10-11-23)14-6-4-13(5-7-14)19-20-18-22(2)16-9-8-15(24-3)12-17(16)25-18;1-5-6(2,3)4/h4-9,12,23H,10-11H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1