2-(3-bromanylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone chloride

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone chloride Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone chloride CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone chloride IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone chloride Formula: C20H20BrClN2O MolecularWeight: 419.7426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)Br.[Cl-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)Br.[Cl-]

InChI

InChI=1S/C20H20BrN2O.ClH/c1-15-11-19(20(24)14-22-10-6-9-18(21)13-22)16(2)23(15)12-17-7-4-3-5-8-17;/h3-11,13H,12,14H2,1-2H3;1H/q+1;/p-1