[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium chloride

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-methyl-ammonium chloride CAS Name: [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-methylazanium chloride Traditional Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-methyl-ammonium chloride Formula: C22H20Cl2N2OS MolecularWeight: 431.378

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C22H19ClN2OS.ClH/c1-24(14-16-7-3-2-4-8-16)15-22(26)25-18-9-5-6-10-20(18)27-21-12-11-17(23)13-19(21)25;/h2-13H,14-15H2,1H3;1H