1-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)heptan-4-yl-dimethyl-azanium bromide

Systemtic Name: 1-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)heptan-4-yl-dimethyl-azanium bromide Openeye Name: [4-(2-chloro-5-oxo-phenothiazin-10-yl)-1-propyl-butyl]-dimethyl-ammonium bromide CAS Name: 1-(2-chloro-5-oxo-10-phenothiazinyl)heptan-4-yl-dimethylammonium bromide IUPAC Name: 1-(2-chloro-5-oxophenothiazin-10-yl)heptan-4-yl-dimethylazanium bromide Traditional Name: [4-(2-chloro-5-keto-phenothiazin-10-yl)-1-propyl-butyl]-dimethyl-ammonium bromide Formula: C21H28BrClN2OS MolecularWeight: 471.88182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2OS.BrH/c1-4-8-17(23(2)3)9-7-14-24-18-10-5-6-11-20(18)26(25)21-13-12-16(22)15-19(21)24;/h5-6,10-13,15,17H,4,7-9,14H2,1-3H3;1H