Chem
J-GLOBAL ID：201807005257401920
Nikkaji number：J3.720.879E
(3aα,4aα,7aα,8aα)-2,2,6,6-Tetraethyl-4β,8β-ethenododecahydrobenzo[1,2-c:4,5-c′]dipyrrole-2,6-diium
(3aα,4aα,7aα,8aα)-2,2,6,6-テトラエチル-4β,8β-エテノドデカヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2,6-ジイウム
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
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
Molecular formula： C20H36[N+]2
Molecular formula furigana： C20-H36-N2
Molecular weight： 304.521
InChI：
InChI=1S/C20H36N2/c1-5-21(6-2)11-17-15-9-10-16(18(17)12-21)20-14-22(7-3,8-4)13-19(15)20/h9-10,15-20H,5-8,11-14H2,1-4H3/q+2/t15-,16+,17+,18-,19-,20+
InChI key：
HCFSJZPKXNAMOS-XAWFRAJHSA-N
SMILES：
CC[N+]1(CC)C[C@H]2[C@@H](C1)[C@H]1C=C[C@@H]2[C@@H]2C[N+](CC)(CC)C[C@H]12
Systematic name (3)：
- (3aα,4aα,7aα,8aα)-2,2,6,6-テトラエチル-4β,8β-エテノドデカヒドロベンゾ[1,2-c:4,5-c′]ジピロール-2,6-ジイウム
- (1r,2R,6S,7r,8R,12S)-4,4,10,10-テトラエチル-4,10-ジアザテトラシクロ[5.5.2.02,6.08,12]テトラデカ-13-エン-4,10-ジイウム
- (1r,2R,6S,7r,8R,12S)-4,4,10,10-tetraethyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-4,10-diium
- (3aα,4aα,7aα,8aα)-2,2,6,6-Tetraethyl-4β,8β-ethenododecahydrobenzo[1,2-c:4,5-c′]dipyrrole-2,6-diium
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