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

Systemtic Name: 4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate CAS Name: 4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-methyl-2,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-methyl-2,6-diphenylpyridin-1-ium perchlorate Traditional Name: 4-[4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl]-1-methyl-2,6-diphenyl-pyridin-1-ium perchlorate Formula: C39H32ClN3O4 MolecularWeight: 642.14208

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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=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[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.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H32N3.ClHO4/c1-41-37(31-16-8-3-9-17-31)26-34(27-38(41)32-18-10-4-11-19-32)29-22-24-35(25-23-29)42-39(33-20-12-5-13-21-33)28-36(40-42)30-14-6-2-7-15-30;2-1(3,4)5/h2-27,39H,28H2,1H3;(H,2,3,4,5)/q+1;/p-1