3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenylcarbonyloxymethyl)azanium chloride

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenylcarbonyloxymethyl)azanium chloride Openeye Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium chloride CAS Name: benzoyloxymethyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium chloride IUPAC Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium chloride Traditional Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium chloride Formula: C25H26Cl2N2O2S MolecularWeight: 489.45714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN2O2S.ClH/c1-28(2,18-30-25(29)19-9-4-3-5-10-19)16-8-15-27-21-11-6-7-12-23(21)31-24-14-13-20(26)17-22(24)27;/h3-7,9-14,17H,8,15-16,18H2,1-2H3;1H/q+1;/p-1