3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline

Systemtic Name: 3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline Openeye Name: 3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline CAS Name: 3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline IUPAC Name: 3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline Traditional Name: 3-[2-(4-bromophenyl)-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl]isoquinoline Formula: C24H18BrN4+ MolecularWeight: 442.33052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC1=[N+](N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C24H18BrN4/c1-17-27-24(18-7-3-2-4-8-18)29(22-13-11-21(25)12-14-22)28(17)23-15-19-9-5-6-10-20(19)16-26-23/h2-16H,1H3/q+1