(4-bromophenyl)methyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium bromide

Systemtic Name: (4-bromophenyl)methyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium bromide Openeye Name: (4-bromophenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide CAS Name: (4-bromophenyl)methyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium bromide IUPAC Name: (4-bromophenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium bromide Traditional Name: (4-bromobenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide Formula: C24H25Br2ClN2S MolecularWeight: 568.7947

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)Br.[Br-]

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)Br.[Br-]

InChI

InChI=1S/C24H25BrClN2S.BrH/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27;/h3-4,6-13,16H,5,14-15,17H2,1-2H3;1H/q+1;/p-1