当前位置: 首页 » 资料 » 化学物质数据库 » (1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dion

(1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dion

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:3
摘 要: (1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione,Canonical SMILES: CN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=C[NH+]=CC=C4,Isomeric SMILES: CN1[C@H](C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=C[NH+]=CC=C4,InChI: InChI=1/C17H12N2O3/c1-19-14(10-5-4-8
[Synonyms]

[Structure]
 (1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dion

[ Properties Computed from Structure]
Molecular Weight293.29672 [g/mol]
Molecular FormulaC17H13N2O3+
XLogP2.335
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass293.092617
MonoIsotopic Mass293.092617
Topological Polar Surface Area60.8
Heavy Atom Count22
Formal Charge1
Complexity542
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Canonical SMILES: CN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=C[NH+]=CC=C4
Isomeric SMILES: CN1[C@H](C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=C[NH+]=CC=C4
InChI: InChI=1/C17H12N2O3/c1-19-14(10-5-4-8-18-9-10)13-15(20)11-6-2-3-7-12(11)
22-16(13)17(19)21/h2-9,14H,1H3/p+1/t14-/m0/s1/fC17H13N2O3/h18H/q+1

 
本文导航:
  • (1) (1S)-2-methyl-1-pyridin-1-ium-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dion
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注