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

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-[(3-chlorophenyl)methyl]-dimethyl-azanium bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(3-chlorophenyl)methyl]-dimethyl-ammonium bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(3-chlorophenyl)methyl]-dimethylammonium bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(3-chlorophenyl)methyl]-dimethylazanium bromide Traditional Name: (3-chlorobenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium bromide Formula: C24H25BrCl2N2S MolecularWeight: 524.3437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N2S.BrH/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27;/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3;1H/q+1;/p-1