1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H23N2O2/c1-15-7-5-6-12-22(15)14-21(24)20-13-16(2)23(17(20)3)18-8-10-19(25-4)11-9-18/h5-13H,14H2,1-4H3/q+1