N-methyl-N-(phenylmethyl)-4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)diazenyl]aniline; methyl sulfate

Systemtic Name: N-methyl-N-(phenylmethyl)-4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)diazenyl]aniline; methyl sulfate Openeye Name: N-benzyl-N-methyl-4-(1,2,5-trimethylpyrazol-2-ium-3-yl)azo-aniline; methyl sulfate CAS Name: N-methyl-N-(phenylmethyl)-4-[(1,2,5-trimethyl-3-pyrazol-2-iumyl)azo]aniline; methyl sulfate IUPAC Name: N-benzyl-N-methyl-4-[(1,2,5-trimethylpyrazol-2-ium-3-yl)diazenyl]aniline; methyl sulfate Traditional Name: benzyl-methyl-[4-(1,2,5-trimethylpyrazol-2-ium-3-yl)azophenyl]amine; methyl sulfate Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1C)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](N1C)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H24N5.CH4O4S/c1-16-14-20(25(4)24(16)3)22-21-18-10-12-19(13-11-18)23(2)15-17-8-6-5-7-9-17;1-5-6(2,3)4/h5-14H,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1