Chem
J-GLOBAL ID：201007095846950828   Nikkaji number：J2.876.895H

2-[2-[2-Chloro-3-[2-(3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-3,3-dimethyl-1-propyl-3H-indol-1-ium

2-[2-[2-クロロ-3-[2-(3,3-ジメチル-1-プロピルインドリン-2-イリデン)エチリデン]-1-シクロヘキセニル]エテニル]-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H44ClN[N+]
Molecular formula furigana： C36-H44-CL-N2
Molecular weight： 540.210
InChI： InChI=1S/C36H44ClN2/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3/q+1
InChI key： MMSREVPDKSWDLN-UHFFFAOYSA-N
SMILES： CCCN1C(=CC=C2CCCC(=C2Cl)C=CC2=[N+](CCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
Systematic name  (5)：
  • 2-[2-[2-クロロ-3-[2-(3,3-ジメチル-1-プロピルインドリン-2-イリデン)エチリデン]-1-シクロヘキセニル]エテニル]-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
  • 1-プロピル-2-[2-[2-クロロ-3-[2-(1-プロピル-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イリデン)エチリデン]-1-シクロヘキセン-1-イル]エテニル]-3,3-ジメチル-3H-インドリウム
  • 1-プロピル-2-[2-[2-クロロ-3-[2-[1-プロピル-3,3-ジメチル-1H-インドール-2(3H)-イリデン]エチリデン]-1-シクロヘキセン-1-イル]エテニル]-3,3-ジメチル-3H-インドール-1-イウム
  • 2-(2-{2-クロロ-3-[2-(3,3-ジメチル-1-プロピル-2,3-ジヒドロ-1H-インドール-2-イリデン)エチリデン]シクロヘキサ-1-エン-1-イル}エテニル)-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
  • 2-(2-{2-chloro-3-[2-(3,3-dimethyl-1-propyl-2,3-dihydro-1H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium
Other name (3)：
  • 2-[2-[2-Chloro-3-[2-(3,3-dimethyl-1-propylindolin-2-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-3,3-dimethyl-1-propyl-3H-indol-1-ium
  • 1-Propyl-2-[2-[2-chloro-3-[2-(1-propyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-3H-indolium
  • 1-Propyl-2-[2-[2-chloro-3-[2-[1-propyl-3,3-dimethyl-1H-indol-2(3H)-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-3H-indole-1-ium
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