2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride

Systemtic Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Openeye Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride CAS Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-phenylethanone chloride IUPAC Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenylethanone chloride Traditional Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Formula: C29H24ClN3O MolecularWeight: 465.97336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C29H24N3O.ClH/c33-28(22-11-4-1-5-12-22)21-32-18-10-17-25(20-32)26-19-27(31-30-26)29(23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-20,29H,21H2,(H,30,31);1H/q+1;/p-1