3-(2-chloranylphenothiazin-10-yl)propyl-[(4-chlorophenyl)methyl]-dimethyl-azanium chloride

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-[(4-chlorophenyl)methyl]-dimethyl-azanium chloride Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(4-chlorophenyl)methyl]-dimethyl-ammonium chloride CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-[(4-chlorophenyl)methyl]-dimethylammonium chloride IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride Traditional Name: (4-chlorobenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium chloride Formula: C24H25Cl3N2S MolecularWeight: 479.8927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N2S.ClH/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