Chem
J-GLOBAL ID:200907098275289310
Nikkaji number:J1.793.113J
1-Methyl-1-benzyl-4-[3-oxo-3-(1,3-benzodioxole-5-yl)propyl]piperidinium
1-メチル-1-ベンジル-4-[3-オキソ-3-(1,3-ベンゾジオキソール-5-イル)プロピル]ピペリジニウム
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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:
C23 H28 [N+]O3
Molecular formula furigana:
C23-H28-N-O3
Molecular weight:
366.480
InChI:
InChI=1S/C23H28NO3/c1-24(16-19-5-3-2-4-6-19)13-11-18(12-14-24)7-9-21(25)20-8-10-22-23(15-20)27-17-26-22/h2-6,8,10,15,18H,7,9,11-14,16-17H2,1H3/q+1
InChI key:
MGRJGBMUVSCADJ-UHFFFAOYSA-N
SMILES:
C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCOc3c2)CC1
Systematic name (3):
1-メチル-1-ベンジル-4-[3-オキソ-3-(1,3-ベンゾジオキソール-5-イル)プロピル]ピペリジニウム
4-[3-(2H-1,3-ベンゾジオキソール-5-イル)-3-オキソプロピル]-1-ベンジル-1-メチルピペリジン-1-イウム
4-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-1-benzyl-1-methylpiperidin-1-ium
Other name (1):
1-Methyl-1-benzyl-4-[3-oxo-3-(1,3-benzodioxole-5-yl)propyl]piperidinium
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