3-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
3-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide · CAS 143-92-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
- CAS
- 143-92-0
- CID
- 71491
- IUPAC 名称
- (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-{[Hydroxy(diphenyl)acetyl]oxy}-6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
- CAS
- 143-92-0
- CID
- 71491
- IUPAC 名称
- (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
分子属性
- 分子式
- C24H30BrNO4
- 分子量
- 476.4 g/mol
- 精确质量
- 475.13582 Da
- 单同位素质量
- 475.13582 Da
- XLogP
- 暂无
- 极性表面积
- 55.8 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 561
结构标识
- InChIKey
- OENFXACOWSBKMV-UHFFFAOYSA-M
- SMILES
- C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]
- InChI
- InChI=1S/C24H30NO4.BrH/c1-25(2)19-14-20(16-21(25)22(15-19)28-3)29-23(26)24(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19-22,27H,14-16H2,1-3H3;1H/q+1;/p-1