1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C20H20ClN2O2+ MolecularWeight: 355.838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C20H19ClN2O2/c1-14-10-18(20(25)13-22-9-5-7-17(24)12-22)15(2)23(14)11-16-6-3-4-8-19(16)21/h3-10,12H,11,13H2,1-2H3/p+1