butyl-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-dimethyl-azanium bromide

Systemtic Name: butyl-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-dimethyl-azanium bromide Openeye Name: butyl-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl]-dimethyl-ammonium bromide CAS Name: butyl-[3-(2-chloro-5-oxo-10-phenothiazinyl)propyl]-dimethylammonium bromide IUPAC Name: butyl-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]-dimethylazanium bromide Traditional Name: butyl-[3-(2-chloro-5-keto-phenothiazin-10-yl)propyl]-dimethyl-ammonium bromide Formula: C21H28BrClN2OS MolecularWeight: 471.88182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN2OS.BrH/c1-4-5-14-24(2,3)15-8-13-23-18-9-6-7-10-20(18)26(25)21-12-11-17(22)16-19(21)23;/h6-7,9-12,16H,4-5,8,13-15H2,1-3H3;1H/q+1;/p-1