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

Systemtic Name: 2-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Openeye Name: 2-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride CAS Name: 2-(1-piperidin-1-iumyl)-1-[2-(trifluoromethyl)-10-phenothiazinyl]ethanone chloride IUPAC Name: 2-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Traditional Name: 2-piperidin-1-ium-1-yl-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone chloride Formula: C20H20ClF3N2OS MolecularWeight: 428.89881

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.[Cl-]

InChI

InChI=1S/C20H19F3N2OS.ClH/c21-20(22,23)14-8-9-18-16(12-14)25(15-6-2-3-7-17(15)27-18)19(26)13-24-10-4-1-5-11-24;/h2-3,6-9,12H,1,4-5,10-11,13H2;1H