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

Systemtic Name: 1-butyl-4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-pyridin-1-ium Openeye Name: 1-butyl-4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenyl-pyridin-1-ium CAS Name: 1-butyl-4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenylpyridin-1-ium IUPAC Name: 1-butyl-4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-2,6-diphenylpyridin-1-ium Traditional Name: 1-butyl-4-[4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl]-2,6-diphenyl-pyridin-1-ium Formula: C42H38N3+ MolecularWeight: 584.77122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H38N3/c1-2-3-28-44-40(34-18-10-5-11-19-34)29-37(30-41(44)35-20-12-6-13-21-35)32-24-26-38(27-25-32)45-42(36-22-14-7-15-23-36)31-39(43-45)33-16-8-4-9-17-33/h4-27,29-30,42H,2-3,28,31H2,1H3/q+1