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

Systemtic Name: 2-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline; methyl sulfate Openeye Name: 2-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]aniline; methyl sulfate CAS Name: 2-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]aniline; methyl sulfate IUPAC Name: 2-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: [2-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]amine; methyl sulfate Formula: C16H18N4O4S2 MolecularWeight: 394.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=[N+](C3=CC=CC=C3S2)C)N.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=[N+](C3=CC=CC=C3S2)C)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H14N4S.CH4O4S/c1-10-9-11(7-8-12(10)16)17-18-15-19(2)13-5-3-4-6-14(13)20-15;1-5-6(2,3)4/h3-9,16H,1-2H3;1H3,(H,2,3,4)