1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H21N2O2/c1-15-12-20(16(2)23(15)19-9-5-4-6-10-19)21(25)14-22-11-7-8-18(13-22)17(3)24/h4-13H,14H2,1-3H3/q+1