3-[2-[(4-azaniumylphenyl)sulfanylmethyl]phenyl]carbonyloxypropyl-dimethyl-azanium dichloride

Systemtic Name: 3-[2-[(4-azaniumylphenyl)sulfanylmethyl]phenyl]carbonyloxypropyl-dimethyl-azanium dichloride Openeye Name: 3-[2-[(4-azaniumylphenyl)sulfanylmethyl]benzoyl]oxypropyl-dimethyl-ammonium dichloride CAS Name: 3-[[2-[[(4-ammoniophenyl)thio]methyl]phenyl]-oxomethoxy]propyl-dimethylammonium dichloride IUPAC Name: 3-[2-[(4-azaniumylphenyl)sulfanylmethyl]benzoyl]oxypropyl-dimethylazanium dichloride Traditional Name: 3-[2-[[(4-ammoniophenyl)thio]methyl]benzoyl]oxypropyl-dimethyl-ammonium dichloride Formula: C19H26Cl2N2O2S MolecularWeight: 417.39294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC(=O)C1=CC=CC=C1CSC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCCOC(=O)C1=CC=CC=C1CSC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C19H24N2O2S.2ClH/c1-21(2)12-5-13-23-19(22)18-7-4-3-6-15(18)14-24-17-10-8-16(20)9-11-17;;/h3-4,6-11H,5,12-14,20H2,1-2H3;2*1H