Chem
J-GLOBAL ID：201807003491865627   Nikkaji number：J3.725.683H

1-[5-Oxo-5-[(2,5-dioxopyrrolizino)oxy]pentyl]-4-[7-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-yl]pyridinium

1-[5-オキソ-5-[(2,5-ジオキソピロリジノ)オキシ]ペンチル]-4-[7-(4-メトキシフェニル)-2,1,3-ベンゾチアジアゾール-4-イル]ピリジニウム
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： C27H25N3[N+]O5S
Molecular formula furigana： C27-H25-N4-O5-S
Molecular weight： 517.580
InChI： InChI=1S/C27H25N4O5S/c1-35-20-7-5-18(6-8-20)21-9-10-22(27-26(21)28-37-29-27)19-13-16-30(17-14-19)15-3-2-4-25(34)36-31-23(32)11-12-24(31)33/h5-10,13-14,16-17H,2-4,11-12,15H2,1H3/q+1
InChI key： XLUNIQGMDSOGNU-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)c1ccc(c2cc[n+](CCCCC(=O)ON3C(=O)CCC3=O)cc2)c2nsnc12
Systematic name  (3)：
  • 1-[5-オキソ-5-[(2,5-ジオキソピロリジノ)オキシ]ペンチル]-4-[7-(4-メトキシフェニル)-2,1,3-ベンゾチアジアゾール-4-イル]ピリジニウム
  • 1-{5-[(2,5-ジオキソピロリジン-1-イル)オキシ]-5-オキソペンチル}-4-[7-(4-メトキシフェニル)-2,1,3-ベンゾチアジアゾール-4-イル]ピリジン-1-イウム
  • 1-{5-[(2,5-dioxopyrrolidin-1-yl)oxy]-5-oxopentyl}-4-[7-(4-methoxyphenyl)-2,1,3-benzothiadiazol-4-yl]pyridin-1-ium
Other name (1)：
  • 1-[5-Oxo-5-[(2,5-dioxopyrrolizino)oxy]pentyl]-4-[7-(4-methoxyphenyl)-2,1,3-benzothiadiazole-4-yl]pyridinium
Thsaurus map：
Thesaurus Map

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