(Q82915681)

English

1-(Heptanoyloxy)-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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361.161641364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₃₂BrNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

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

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C17H32NO2.BrH/c1-3-4-5-6-12-17(19)20-16-11-9-14-18(2)13-8-7-10-15(16)18;/h15-16H,3-14H2,1-2H3;1H/q+1;/p-1/t15-,16-,18?;/m1./s1

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FQQLJKFLDZADNO-DKHGOEQKSA-M

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID901367727

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