1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-16-13-20(21(25)15-22-11-6-9-19(24)14-22)17(2)23(16)12-10-18-7-4-3-5-8-18/h3-9,11,13-14H,10,12,15H2,1-2H3/p+1