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

Systemtic Name: 2-(4-methylphenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide Openeye Name: 2,6-diphenyl-4-(p-tolyl)-3H-1,2,4,5-tetrazin-4-ium bromide CAS Name: 2-(4-methylphenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide IUPAC Name: 2-(4-methylphenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide Traditional Name: 2,6-diphenyl-4-(p-tolyl)-3H-1,2,4,5-tetrazin-4-ium bromide Formula: C21H19BrN4 MolecularWeight: 407.30636

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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=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N4.BrH/c1-17-12-14-20(15-13-17)25-16-24(19-10-6-3-7-11-19)22-21(23-25)18-8-4-2-5-9-18;/h2-15H,16H2,1H3;1H/q+1;/p-1