(+)-[2-[4-(Benzoyloxy)-3-(Methylthio)Phenyl]-2-Oxoethyl][3-(4-Methoxyphenyl)-1-Methylpropyl]Ammonium Bromide
[CAS# 66264-97-9]

Identification

• Name: (+)-[2-[4-(Benzoyloxy)-3-(Methylthio)Phenyl]-2-Oxoethyl][3-(4-Methoxyphenyl)-1-Methylpropyl]Ammonium Bromide
• Synonyms: [2-(4-Benzoyloxy-3-Methylsulfanyl-Phenyl)-2-Oxo-Ethyl]-[3-(4-Methoxyphenyl)-1-Methyl-Propyl]Ammonium Bromide; [2-[4-Benzoyloxy-3-(Methylthio)Phenyl]-2-Oxoethyl]-[3-(4-Methoxyphenyl)-1-Methylpropyl]Ammonium Bromide; [2-[4-Benzoyloxy-3-(Methylthio)Phenyl]-2-Keto-Ethyl]-[3-(4-Methoxyphenyl)-1-Methyl-Propyl]Ammonium Bromide
• Molecular Formula: C₂₇H₃₀BrNO₄S
• Molecular Weight: 544.50
• CAS Registry Number: 66264-97-9
• EINECS: 266-292-9
• SMILES: C1=C(C(=CC=C1C(C[NH2+]C(CCC2=CC=C(C=C2)OC)C)=O)OC(=O)C3=CC=CC=C3)SC.[Br-]
• InChI: 1S/C27H29NO4S.BrH/c1-19(9-10-20-11-14-23(31-2)15-12-20)28-18-24(29)22-13-16-25(26(17-22)33-3)32-27(30)21-7-5-4-6-8-21;/h4-8,11-17,19,28H,9-10,18H2,1-3H3;1H
• InChIKey: ARYLHJDBGBQPIV-UHFFFAOYSA-N

Properties

• Boiling point: 641.7°C at 760 mmHg (Cal.)
• Flash point: 341.9°C (Cal.)