2-(azepan-1-ium-1-yl)-1-(2-chloranylphenothiazin-10-yl)ethanone chloride

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(2-chloranylphenothiazin-10-yl)ethanone chloride Openeye Name: 2-(azepan-1-ium-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone chloride CAS Name: 2-(1-azepan-1-iumyl)-1-(2-chloro-10-phenothiazinyl)ethanone chloride IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone chloride Traditional Name: 2-(azepan-1-ium-1-yl)-1-(2-chlorophenothiazin-10-yl)ethanone chloride Formula: C20H22Cl2N2OS MolecularWeight: 409.37248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C20H21ClN2OS.ClH/c21-15-9-10-19-17(13-15)23(16-7-3-4-8-18(16)25-19)20(24)14-22-11-5-1-2-6-12-22;/h3-4,7-10,13H,1-2,5-6,11-12,14H2;1H