(Q82915664)

English

1-(Butanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide

chemical compound

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Statements

group of stereoisomers

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chemical compound

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319.114691172 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₆BrNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CCCC(=O)OC1CCC[N+]2(C)CCCCC12.[Br-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(=O)O[C@@H]1CCC[N+]2(C)CCCC[C@H]12.[Br-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C14H26NO2.BrH/c1-3-7-14(16)17-13-9-6-11-15(2)10-5-4-8-12(13)15;/h12-13H,3-11H2,1-2H3;1H/q+1;/p-1/t12-,13-,15?;/m1./s1

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GDSJSQXJLNHXRK-JAWPBFRBSA-M

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401367710

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