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

Systemtic Name: N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-(phenylmethyl)aniline; methyl sulfate Openeye Name: N-benzyl-N-methyl-4-(3-methylthiazol-3-ium-2-yl)azo-aniline; methyl sulfate CAS Name: N-methyl-4-[(3-methyl-2-thiazol-3-iumyl)azo]-N-(phenylmethyl)aniline; methyl sulfate IUPAC Name: N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline; methyl sulfate Traditional Name: benzyl-methyl-[4-(3-methylthiazol-3-ium-2-yl)azophenyl]amine; methyl sulfate Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H19N4S.CH4O4S/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15;1-5-6(2,3)4/h3-13H,14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1