6-(4-methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide

Systemtic Name: 6-(4-methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide Openeye Name: 6-(4-methoxyphenyl)-2-phenyl-4-(p-tolyl)-3H-1,2,4,5-tetrazin-4-ium bromide CAS Name: 6-(4-methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide IUPAC Name: 6-(4-methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide Traditional Name: 6-(4-methoxyphenyl)-2-phenyl-4-(p-tolyl)-3H-1,2,4,5-tetrazin-4-ium bromide Formula: C22H21BrN4O MolecularWeight: 437.33234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]

InChI

InChI=1S/C22H21N4O.BrH/c1-17-8-12-20(13-9-17)26-16-25(19-6-4-3-5-7-19)23-22(24-26)18-10-14-21(27-2)15-11-18;/h3-15H,16H2,1-2H3;1H/q+1;/p-1