2-(3-oxidanylpiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride

Systemtic Name: 2-(3-oxidanylpiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Openeye Name: 2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride CAS Name: 2-(3-hydroxy-1-piperidin-1-iumyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone chloride IUPAC Name: 2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Traditional Name: 2-(3-hydroxypiperidin-1-ium-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Formula: C20H20ClF3N2O2S MolecularWeight: 444.89821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)O.[Cl-]

Isomeric SMILES

C1CC(C[NH+](C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)O.[Cl-]

InChI

InChI=1S/C20H19F3N2O2S.ClH/c21-20(22,23)13-7-8-18-16(10-13)25(15-5-1-2-6-17(15)28-18)19(27)12-24-9-3-4-14(26)11-24;/h1-2,5-8,10,14,26H,3-4,9,11-12H2;1H