Chem
J-GLOBAL ID：200907010339895126   Nikkaji number：J1.372.514D

1-Methyl-2-(1-adamantyl)-4-[4-(dimethylamino)benzylidene]-4H-pyrazolo[1,5-a]indole-1-ium

1-メチル-2-(1-アダマンチル)-4-[4-(ジメチルアミノ)ベンジリデン]-4H-ピラゾロ[1,5-a]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： C30H34N2[N+]
Molecular formula furigana： C30-H34-N3
Molecular weight： 436.622
InChI： InChI=1S/C30H34N3/c1-31(2)24-10-8-20(9-11-24)15-26-25-6-4-5-7-27(25)33-28(26)16-29(32(33)3)30-17-21-12-22(18-30)14-23(13-21)19-30/h4-11,15-16,21-23H,12-14,17-19H2,1-3H3/q+1/t21-,22?,23?,30-
InChI key： YPNDNUDRHLMJKX-LTQXZZBASA-N
SMILES： CN(C)c1ccc(C=c2c3cc([n+](C)n3c3ccccc23)[C@@]23CC4C[C@@H](CC(C4)C2)C3)cc1
Systematic name  (3)：
  • 1-メチル-2-(1-アダマンチル)-4-[4-(ジメチルアミノ)ベンジリデン]-4H-ピラゾロ[1,5-a]インドール-1-イウム
  • 4-{[4-(ジメチルアミノ)フェニル]メチリデン}-1-メチル-2-[(3r)-アダマンタン-1-イル]-4H-ピラゾロ[1,5-a]インドール-1-イウム
  • 4-{[4-(dimethylamino)phenyl]methylidene}-1-methyl-2-[(3r)-adamantan-1-yl]-4H-pyrazolo[1,5-a]indol-1-ium
Other name (1)：
  • 1-Methyl-2-(1-adamantyl)-4-[4-(dimethylamino)benzylidene]-4H-pyrazolo[1,5-a]indole-1-ium
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