1-(2-chloranylphenothiazin-10-yl)heptan-4-yl-dimethyl-azanium bromide

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)heptan-4-yl-dimethyl-azanium bromide Openeye Name: [4-(2-chlorophenothiazin-10-yl)-1-propyl-butyl]-dimethyl-ammonium bromide CAS Name: 1-(2-chloro-10-phenothiazinyl)heptan-4-yl-dimethylammonium bromide IUPAC Name: 1-(2-chlorophenothiazin-10-yl)heptan-4-yl-dimethylazanium bromide Traditional Name: [4-(2-chlorophenothiazin-10-yl)-1-propyl-butyl]-dimethyl-ammonium bromide Formula: C21H28BrClN2S MolecularWeight: 455.88242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[NH+](C)C.[Br-]

Isomeric SMILES

CCCC(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[NH+](C)C.[Br-]

InChI

InChI=1S/C21H27ClN2S.BrH/c1-4-8-17(23(2)3)9-7-14-24-18-10-5-6-11-20(18)25-21-13-12-16(22)15-19(21)24;/h5-6,10-13,15,17H,4,7-9,14H2,1-3H3;1H