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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Formula: C21H23N2O+ MolecularWeight: 319.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H23N2O/c1-15-9-8-12-22(17(15)3)14-21(24)20-13-16(2)23(18(20)4)19-10-6-5-7-11-19/h5-13H,14H2,1-4H3/q+1