4-[4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium

Systemtic Name: 4-[4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium Openeye Name: 4-[4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium CAS Name: 4-[4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium IUPAC Name: 4-[4-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium Traditional Name: 4-[4-[3-(4-bromophenyl)-5-phenyl-2-pyrazolin-1-yl]phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium Formula: C39H31BrN3+ MolecularWeight: 621.58754

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H31BrN3/c1-42-37(30-11-5-2-6-12-30)25-33(26-38(42)31-13-7-3-8-14-31)28-19-23-35(24-20-28)43-39(32-15-9-4-10-16-32)27-36(41-43)29-17-21-34(40)22-18-29/h2-26,39H,27H2,1H3/q+1