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

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-bromopyridin-1-ium-1-yl)ethanone Formula: C20H20BrN2O+ MolecularWeight: 384.2896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN2O/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/q+1