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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone chloride Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=CC(=C3)O.[Cl-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=CC(=C3)O.[Cl-]

InChI

InChI=1S/C18H18N2O2S.ClH/c1-13-9-17(14(2)20(13)11-16-6-4-8-23-16)18(22)12-19-7-3-5-15(21)10-19;/h3-10H,11-12H2,1-2H3;1H