1-(2-chloranylphenothiazin-10-yl)-2-(3-oxidanylpiperidin-1-ium-1-yl)ethanone chloride

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-(3-oxidanylpiperidin-1-ium-1-yl)ethanone chloride Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-(3-hydroxypiperidin-1-ium-1-yl)ethanone chloride CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-(3-hydroxy-1-piperidin-1-iumyl)ethanone chloride IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-(3-hydroxypiperidin-1-ium-1-yl)ethanone chloride Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-(3-hydroxypiperidin-1-ium-1-yl)ethanone chloride Formula: C19H20Cl2N2O2S MolecularWeight: 411.3453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O2S.ClH/c20-13-7-8-18-16(10-13)22(15-5-1-2-6-17(15)25-18)19(24)12-21-9-3-4-14(23)11-21;/h1-2,5-8,10,14,23H,3-4,9,11-12H2;1H