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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)O)C

InChI

InChI=1S/C16H20N2O2/c1-4-7-18-12(2)9-15(13(18)3)16(20)11-17-8-5-6-14(19)10-17/h5-6,8-10H,4,7,11H2,1-3H3/p+1