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

Systemtic Name: 1-phenyl-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C23H20N3O+ MolecularWeight: 354.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3O/c27-23(19-10-5-2-6-11-19)17-26-13-7-12-20(16-26)22-15-21(24-25-22)14-18-8-3-1-4-9-18/h1-13,15-16H,14,17H2,(H,24,25)/q+1