Chem
J-GLOBAL ID:200907073801467757
Nikkaji number:J1.886.101A
Dysibetaine-PP
ジシベタイン-PP
Download MOL file
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:
C12 H18 N[N+]O2 [O-]
Molecular formula furigana:
C12-H18-N2-O3
Molecular weight:
238.287
InChI:
InChI=1S/C12H18N2O3/c1-14-7-3-5-9(14)11(15)13-8(12(16)17)4-2-6-10(13)14/h8-10H,2-7H2,1H3/t8-,9-,10+,14-/m0/s1
InChI key:
LEWGEDTVGDPLGM-RZGXBDKHSA-N
SMILES:
C[N@+]12CCC[C@H]1C(=O)N1[C@H]2CCC[C@H]1C(=O)[O-]
Systematic name (3):
1,2,3bβ,4,5,6,7,8aβ-オクタヒドロ-3aβ-メチル-8-オキソ-3H,8H-3a-アゾニア-7a-アザシクロペンタ[a]インデン-7β-カルボキシラート
(1R,2S,6S,9S)-2-メチル-7-オキソ-2,8-ジアザトリシクロ[6.4.0.02,6 ]ドデカン-2-イウム-9-カルボキシラート
(1R,2S,6S,9S)-2-methyl-7-oxo-2,8-diazatricyclo[6.4.0.02,6 ]dodecan-2-ium-9-carboxylate
Other name (3):
1,2,3bβ,4,5,6,7,8aβ-Octahydro-3aβ-methyl-8-oxo-3H,8H-3a-azonia-7a-azacyclopenta[a]indene-7β-carboxylate
ジシベタイン-PP
Dysibetaine-PP
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