Chem
J-GLOBAL ID:200907062276486123   Nikkaji number:J614.722D

1,3-Bis[3-[4-(2,3-dihydro-3-methylbenzoxazole-2-ylidenemethyl)quinolinium-1-yl]propyldimethylaminio]propane

1,3-ビス[3-[4-(2,3-ジヒドロ-3-メチルベンゾオキサゾール-2-イリデンメチル)キノリニウム-1-イル]プロピルジメチルアミニオ]プロパン
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: C49H58N2[N+]4O2
Molecular formula furigana: C49-H58-N6-O2
Molecular weight: 763.041
InChI: InChI=1S/C49H58N6O2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
InChI key: HVBLAWIIVRQTOV-UHFFFAOYSA-N
SMILES: Cn1c(=Cc2cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]3ccc(C=c4oc5ccccc5n4C)c4ccccc34)c3ccccc23)oc2ccccc12
Systematic name  (4):
  • N,N,N′,N′-テトラメチル-N,N′-ビス[3-[4-[[3-メチルベンゾオキサゾール-2(3H)-イリデン]メチル]キノリニウム-1-イル]プロピル]-1,3-プロパンジアミニウム
  • 1,3-ビス[3-[4-(2,3-ジヒドロ-3-メチルベンゾオキサゾール-2-イリデンメチル)キノリニウム-1-イル]プロピルジメチルアミニオ]プロパン
  • 1-[3-({3-[ジメチル(3-{4-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-イリデン)メチル]キノリン-1-イウム-1-イル}プロピル)アザニウミル]プロピル}ジメチルアザニウミル)プロピル]-4-[(3-メチル-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-イリデン)メチル]キノリン-1-イウム
  • 1-[3-({3-[dimethyl(3-{4-[(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl}propyl)azaniumyl]propyl}dimethylazaniumyl)propyl]-4-[(3-methyl-2,3-dihydro-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium
Other name (2):
  • N,N,N′,N′-Tetramethyl-N,N′-bis[3-[4-[[3-methylbenzoxazol-2(3H)-ylidene]methyl]quinolinium-1-yl]propyl]-1,3-propanediaminium
  • 1,3-Bis[3-[4-(2,3-dihydro-3-methylbenzoxazole-2-ylidenemethyl)quinolinium-1-yl]propyldimethylaminio]propane
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