Chem
J-GLOBAL ID:200907000501699977
Nikkaji number:J1.407.426K
6-Allyl-1,2,3,10bα-tetrahydro-6α-[4-(methylthio)phenyl]-6H-pyrrolo[2,1-a]isoquinoline-4-ium
6-アリル-1,2,3,10bα-テトラヒドロ-6α-[4-(メチルチオ)フェニル]-6H-ピロロ[2,1-a]イソキノリン-4-イウム
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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:
C22 H24 [N+]S
Molecular formula furigana:
C22-H24-N-S
Molecular weight:
334.500
InChI:
InChI=1S/C22H24NS/c1-3-14-22(17-10-12-18(24-2)13-11-17)16-23-15-6-9-21(23)19-7-4-5-8-20(19)22/h3-5,7-8,10-13,16,21H,1,6,9,14-15H2,2H3/q+1/t21-,22-/m1/s1
InChI key:
QHEQNSHRPUIVRR-FGZHOGPDSA-N
SMILES:
CSc1ccc(cc1)[C@@]1(CC=C)C=[N+]2CCC[C@@H]2c2ccccc12
Systematic name (3):
6-アリル-1,2,3,10bα-テトラヒドロ-6α-[4-(メチルチオ)フェニル]-6H-ピロロ[2,1-a]イソキノリン-4-イウム
(6R,10bR)-6-[4-(メチルスルファニル)フェニル]-6-(プロパ-2-エン-1-イル)-1H,2H,3H,6H,10bH-4λ5 -ピロロ[2,1-a]イソキノリン-4-イリウム
(6R,10bR)-6-[4-(methylsulfanyl)phenyl]-6-(prop-2-en-1-yl)-1H,2H,3H,6H,10bH-4λ5 -pyrrolo[2,1-a]isoquinolin-4-ylium
Other name (1):
6-Allyl-1,2,3,10bα-tetrahydro-6α-[4-(methylthio)phenyl]-6H-pyrrolo[2,1-a]isoquinoline-4-ium
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