[(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
[(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate · CAS 1188932-15-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
- CAS
- 1188932-15-1
- CID
- 44557490
- IUPAC 名称
- [(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
- CAS
- 1188932-15-1
- CID
- 44557490
- IUPAC 名称
- [(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-15-oxido-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
分子属性
- 分子式
- C21H22N2O3
- 分子量
- 350.4 g/mol
- 精确质量
- 350.16304257 Da
- 单同位素质量
- 350.16304257 Da
- XLogP
- 1.4
- 极性表面积
- 56.7 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 760
结构标识
- InChIKey
- SYZGOUOZLCZRJD-TZUVUNOXSA-N
- SMILES
- C/C=C\1/C[N+]2([C@H]3C[C@@H]1[C@H]4[C@@H]2C[C@]5([C@@H]4OC(=O)C)C3=NC6=CC=CC=C56)[O-]
- InChI
- InChI=1S/C21H22N2O3/c1-3-12-10-23(25)16-8-13(12)18-17(23)9-21(20(18)26-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21+,23?/m0/s1