Chem
J-GLOBAL ID:200907013132176544
Nikkaji number:J1.799.838B
5-[4-[2-[4-(Dibutylamino)phenyl]ethenyl]benzylidene]-5,6,7,8-tetrahydro-2-octadecylisoquinolinium
5-[4-[2-[4-(ジブチルアミノ)フェニル]エテニル]ベンジリデン]-5,6,7,8-テトラヒドロ-2-オクタデシルイソキノリニウム
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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:
C50 H75 N[N+]
Molecular formula furigana:
C50-H75-N2
Molecular weight:
704.163
InChI:
InChI=1S/C50H75N2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-38-51-41-37-50-47(25-24-26-48(50)43-51)42-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)52(39-8-5-2)40-9-6-3/h27-37,41-43H,4-26,38-40H2,1-3H3/q+1
InChI key:
HDBGMDVCNZWMRN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccc2C(=Cc3ccc(C=Cc4ccc(cc4)N(CCCC)CCCC)cc3)CCCc2c1
Systematic name (3):
5-[4-[2-[4-(ジブチルアミノ)フェニル]エテニル]ベンジリデン]-5,6,7,8-テトラヒドロ-2-オクタデシルイソキノリニウム
5-[(4-{2-[4-(ジブチルアミノ)フェニル]エテニル}フェニル)メチリデン]-2-オクタデシル-5,6,7,8-テトラヒドロイソキノリン-2-イウム
5-[(4-{2-[4-(dibutylamino)phenyl]ethenyl}phenyl)methylidene]-2-octadecyl-5,6,7,8-tetrahydroisoquinolin-2-ium
Other name (1):
5-[4-[2-[4-(Dibutylamino)phenyl]ethenyl]benzylidene]-5,6,7,8-tetrahydro-2-octadecylisoquinolinium
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