2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide

Systemtic Name: 2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide CAS Name: 2-[3-(5-methyl-1H-pyrazol-3-yl)-1-pyridin-1-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide Traditional Name: 2-[3-(5-methyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-naphthyl)ethanone bromide Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=C[N+](=CC=C2)CC(=O)C3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC1=CC(=NN1)C2=C[N+](=CC=C2)CC(=O)C3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C21H18N3O.BrH/c1-15-11-20(23-22-15)19-7-4-10-24(13-19)14-21(25)18-9-8-16-5-2-3-6-17(16)12-18;/h2-13H,14H2,1H3,(H,22,23);1H/q+1;/p-1