3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(2-chloro-5-oxo-10-phenothiazinyl)propyl-dimethylammonium chloride IUPAC Name: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-dimethylazanium chloride Traditional Name: 3-(2-chloro-5-keto-phenothiazin-10-yl)propyl-dimethyl-ammonium chloride Formula: C17H20Cl2N2OS MolecularWeight: 371.3245

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C17H19ClN2OS.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H