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

Systemtic Name: 1-[1-(2-methoxyethyl)-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-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C16H20N2O3/c1-12-9-15(13(2)18(12)7-8-21-3)16(20)11-17-6-4-5-14(19)10-17/h4-6,9-10H,7-8,11H2,1-3H3/p+1