5-[(4-dimethylaminophenyl)diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; methyl sulfate

Systemtic Name: 5-[(4-dimethylaminophenyl)diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; methyl sulfate Openeye Name: 5-(4-dimethylaminophenyl)azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; methyl sulfate CAS Name: 5-(4-dimethylaminophenyl)azo-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; methyl sulfate IUPAC Name: 5-[(4-dimethylaminophenyl)diazenyl]-N,N,4-trimethyl-1,3,4-thiadiazol-4-ium-2-amine; methyl sulfate Traditional Name: [4-[[5-(dimethylamino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]azo]phenyl]-dimethyl-amine; methyl sulfate Formula: C14H22N6O4S2 MolecularWeight: 402.49228

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)N(C)C)N=NC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC(=N1)N(C)C)N=NC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H19N6S.CH4O4S/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1