Chem
J-GLOBAL ID:200907048391851274   Nikkaji number:J2.361.703J

1-Methyl-2-[2-[2-(4-fluorophenyl)-1H-indole-3-yl]vinyl]-3-[5-(2-aminoethylcarbamoyl)pentyl]-5,6-dichloro-1H-benzoimidazole-3-ium

1-メチル-2-[2-[2-(4-フルオロフェニル)-1H-インドール-3-イル]ビニル]-3-[5-(2-アミノエチルカルバモイル)ペンチル]-5,6-ジクロロ-1H-ベンゾイミダゾール-3-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: C32H33Cl2FN4[N+]O
Molecular formula furigana: C32-H33-CL2-F-N5-O
Molecular weight: 593.550
InChI: InChI=1S/C32H32Cl2FN5O/c1-39-28-19-25(33)26(34)20-29(28)40(18-6-2-3-9-30(41)37-17-16-36)31(39)15-14-24-23-7-4-5-8-27(23)38-32(24)21-10-12-22(35)13-11-21/h4-5,7-8,10-15,19-20H,2-3,6,9,16-18,36H2,1H3,(H,37,41)/p+1
InChI key: GUNUWDDBJSIIMQ-UHFFFAOYSA-O
SMILES: Cn1c(C=Cc2c([nH]c3ccccc23)c2ccc(F)cc2)[n+](CCCCCC(=O)NCCN)c2cc(Cl)c(Cl)cc12
Systematic name  (3):
  • 1-メチル-2-[2-[2-(4-フルオロフェニル)-1H-インドール-3-イル]ビニル]-3-[5-(2-アミノエチルカルバモイル)ペンチル]-5,6-ジクロロ-1H-ベンゾイミダゾール-3-イウム
  • 3-{5-[(2-アミノエチル)カルバモイル]ペンチル}-5,6-ジクロロ-2-{2-[2-(4-フルオロフェニル)-1H-インドール-3-イル]エテニル}-1-メチル-1H-1,3-ベンゾジアゾール-3-イウム
  • 3-{5-[(2-aminoethyl)carbamoyl]pentyl}-5,6-dichloro-2-{2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethenyl}-1-methyl-1H-1,3-benzodiazol-3-ium
Other name (1):
  • 1-Methyl-2-[2-[2-(4-fluorophenyl)-1H-indole-3-yl]vinyl]-3-[5-(2-aminoethylcarbamoyl)pentyl]-5,6-dichloro-1H-benzoimidazole-3-ium
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