(Q82876581)

English

3-(Benzoyloxy)-8-[(4-ethylphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

group of stereoisomers with the chemical formula C₂₄H₃₀BrNO₂

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Statements

group of stereoisomers

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chemical compound

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443.1459913 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀BrNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CCc1ccc(C[N+]2(C)C3CCC2CC(OC(=O)c2ccccc2)C3)cc1.[Br-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCc1ccc(C[N+]2(C)[C@@H]3CC[C@H]2CC(OC(=O)c2ccccc2)C3)cc1.[Br-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C24H30NO2.BrH/c1-3-18-9-11-19(12-10-18)17-25(2)21-13-14-22(25)16-23(15-21)27-24(26)20-7-5-4-6-8-20;/h4-12,21-23H,3,13-17H2,1-2H3;1H/q+1;/p-1/t21-,22+,23?,25?;

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VTDVCJKOQCCORS-AWBYIDCVSA-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

DTXCID201336606

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