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

Systemtic Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethyl-N-(phenylmethyl)aniline; methyl sulfate Openeye Name: N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethyl-aniline; methyl sulfate CAS Name: 4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-ethyl-N-(phenylmethyl)aniline; methyl sulfate IUPAC Name: N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline; methyl sulfate Traditional Name: benzyl-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-ethyl-amine; methyl sulfate Formula: C20H26N6O4S MolecularWeight: 446.52324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H23N6.CH4O4S/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-5-6(2,3)4/h5-13,15H,4,14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1