4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline; methyl sulfate

Systemtic Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethyl-aniline; methyl sulfate Openeye Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethyl-aniline; methyl sulfate CAS Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N,N-diethylaniline; methyl sulfate IUPAC Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N,N-diethylaniline; methyl sulfate Traditional Name: [4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-diethyl-amine; methyl sulfate Formula: C15H24N6O4S MolecularWeight: 384.45386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=NN(C=[N+]2C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=NN(C=[N+]2C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H21N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-5-6(2,3)4/h7-11H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1