3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium bromide

Systemtic Name: 3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium bromide Openeye Name: 3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-tetrazol-1-ium bromide CAS Name: 3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-tetrazol-1-ium bromide IUPAC Name: 3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-tetrazol-1-ium bromide Traditional Name: 3-(4,5-dimethyl-1H-imidazol-2-yl)-2,5-diphenyl-1H-tetrazol-1-ium bromide Formula: C18H19BrN6 MolecularWeight: 399.28766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C(N=C(N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C18H18N6.BrH/c1-13-14(2)20-18(19-13)24-22-17(15-9-5-3-6-10-15)21-23(24)16-11-7-4-8-12-16;/h3-12H,1-2H3,(H,19,20)(H,21,22);1H