(Q82876587)

English

3-(Benzoyloxy)-8-methyl-8-{[4-(propan-2-yl)phenyl]methyl}-8-azabicyclo[3.2.1]octan-8-ium bromide

group of stereoisomers with the chemical formula C₂₅H₃₂BrNO₂

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Statements

group of stereoisomers

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chemical compound

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457.161641364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂BrNO₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)c1ccc(C[N+]2(C)C3CCC2CC(OC(=O)c2ccccc2)C3)cc1.[Br-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)c1ccc(C[N+]2(C)[C@@H]3CC[C@H]2CC(OC(=O)c2ccccc2)C3)cc1.[Br-]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C25H32NO2.BrH/c1-18(2)20-11-9-19(10-12-20)17-26(3)22-13-14-23(26)16-24(15-22)28-25(27)21-7-5-4-6-8-21;/h4-12,18,22-24H,13-17H2,1-3H3;1H/q+1;/p-1/t22-,23+,24?,26?;

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ODEZYVCEPBPLQW-SRHJWORESA-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

DTXCID301336609

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