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

Systemtic Name: 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C22H24N2O3/c1-16-13-21(22(26)15-23-11-4-5-19(25)14-23)17(2)24(16)12-10-18-6-8-20(27-3)9-7-18/h4-9,11,13-14H,10,12,15H2,1-3H3/p+1