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

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]ammonium chloride CAS Name: [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]azanium chloride Traditional Name: benzyl-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]ammonium chloride Formula: C21H18Cl2N2OS MolecularWeight: 417.35142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C21H17ClN2OS.ClH/c22-16-10-11-20-18(12-16)24(17-8-4-5-9-19(17)26-20)21(25)14-23-13-15-6-2-1-3-7-15;/h1-12,23H,13-14H2;1H