Chem
J-GLOBAL ID:200907026561896088   Nikkaji number:J967.701A

3-(3-Amino-3-oxopropyl)-6-(2-chloroethoxy)-2-[4-(diethylamino)phenylazo]benzothiazole-3-ium

3-(3-アミノ-3-オキソプロピル)-6-(2-クロロエトキシ)-2-[4-(ジエチルアミノ)フェニルアゾ]ベンゾチアゾール-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: C22H27ClN4[N+]O2S
Molecular formula furigana: C22-H27-CL-N5-O2-S
Molecular weight: 461.000
InChI: InChI=1S/C22H26ClN5O2S/c1-3-27(4-2)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-14-12-23)15-20(19)31-22/h5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29)/p+1
InChI key: NZQQQLOXIFRWMB-UHFFFAOYSA-O
SMILES: CCN(CC)c1ccc(cc1)N=Nc1sc2cc(OCCCl)ccc2[n+]1CCC(=O)N
Systematic name  (3):
  • 3-(3-アミノ-3-オキソプロピル)-6-(2-クロロエトキシ)-2-[4-(ジエチルアミノ)フェニルアゾ]ベンゾチアゾール-3-イウム
  • 3-(2-カルバモイルエチル)-6-(2-クロロエトキシ)-2-{2-[4-(ジエチルアミノ)フェニル]ジアゼン-1-イル}-1,3-ベンゾチアゾール-3-イウム
  • 3-(2-carbamoylethyl)-6-(2-chloroethoxy)-2-{2-[4-(diethylamino)phenyl]diazen-1-yl}-1,3-benzothiazol-3-ium
Other name (1):
  • 3-(3-Amino-3-oxopropyl)-6-(2-chloroethoxy)-2-[4-(diethylamino)phenylazo]benzothiazole-3-ium
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