(Q82929758)

English

2-Ethyl-7-[(4-methoxybenzoyl)oxy]-2-methyldecahydroisoquinolin-2-ium bromide

group of stereoisomers with the chemical formula C₂₀H₃₀BrNO₃

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Statements

group of stereoisomers

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chemical compound

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411.14090592 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀BrNO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC[N+]1(C)CCC2CCC(OC(=O)c3ccc(OC)cc3)CC2C1.[Br-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[N+]1(C)CC[C@H]2CC[C@@H](OC(=O)c3ccc(OC)cc3)C[C@H]2C1.[Br-]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H30NO3.BrH/c1-4-21(2)12-11-15-5-10-19(13-17(15)14-21)24-20(22)16-6-8-18(23-3)9-7-16;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H/q+1;/p-1/t15-,17+,19-,21?;/m1./s1

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KIJQDKHRKBCMOI-SBHIGMQMSA-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

DTXCID101379556

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