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

Systemtic Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)CCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H27N2O2/c1-17-7-5-6-13-24(17)16-23(26)22-15-18(2)25(19(22)3)14-12-20-8-10-21(27-4)11-9-20/h5-11,13,15H,12,14,16H2,1-4H3/q+1