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

Systemtic Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C29H24N3O+ MolecularWeight: 430.52036

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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

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

InChI

InChI=1S/C29H24N3O/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)/q+1