Chem
J-GLOBAL ID:200907075608245090   Nikkaji number:J2.223.816G

(5R)-N-[3-(Trimethylaminio)propyl]-5β-[4-(aminoiminomethyl)phenyl]-2,3,5,6,7,7aβ-hexahydro-1H-pyrrolizine-6β,7β-dicarbimide

{3-[(3aS,4R,8aS,8bR)-4-(4-カルバムイミドイルフェニル)-1,3-ジオキソ-デカヒドロピロロ[3,4-a]ピロリジン-2-イル]プロピル}トリメチルアザニウム
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: C22H32N4[N+]O2
Molecular formula furigana: C22-H32-N5-O2
Molecular weight: 398.530
InChI: InChI=1S/C22H32N5O2/c1-27(2,3)13-5-12-26-21(28)17-16-6-4-11-25(16)19(18(17)22(26)29)14-7-9-15(10-8-14)20(23)24/h7-10,16-19H,4-6,11-13H2,1-3H3,(H3,23,24)/q+1/t16-,17-,18-,19-/m0/s1
InChI key: JCLUABDCGDTVPA-VJANTYMQSA-N
SMILES: C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c1ccc(cc1)C(=N)N
Systematic name  (3):
  • (5R)-N-[3-(トリメチルアミニオ)プロピル]-5β-[4-(アミノイミノメチル)フェニル]-2,3,5,6,7,7aβ-ヘキサヒドロ-1H-ピロリザイン-6β,7β-ジカルボイミド
  • {3-[(3aS,4R,8aS,8bR)-4-(4-カルバムイミドイルフェニル)-1,3-ジオキソ-デカヒドロピロロ[3,4-a]ピロリジン-2-イル]プロピル}トリメチルアザニウム
  • {3-[(3aS,4R,8aS,8bR)-4-(4-carbamimidoylphenyl)-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-2-yl]propyl}trimethylazanium
Other name (1):
  • (5R)-N-[3-(Trimethylaminio)propyl]-5β-[4-(aminoiminomethyl)phenyl]-2,3,5,6,7,7aβ-hexahydro-1H-pyrrolizine-6β,7β-dicarbimide
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