(Q82972456)

English

4-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-1-methylhexahydro-1H-pyrrolizin-4-ium bromide

group of stereoisomers with the chemical formula C₂₂H₂₆BrNO

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Statements

group of stereoisomers

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chemical compound

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399.11977655199996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆BrNO

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CC[N+]2(CC(=O)c3ccc(-c4ccccc4)cc3)CCCC12.[Br-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CC[N+]2(CC(=O)c3ccc(-c4ccccc4)cc3)CCC[C@@H]12.[Br-]

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C22H26NO.BrH/c1-17-13-15-23(14-5-8-21(17)23)16-22(24)20-11-9-19(10-12-20)18-6-3-2-4-7-18;/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3;1H/q+1;/p-1/t17-,21-,23?;/m0./s1

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IIYGYAUXNKVHLM-RNIPOHINSA-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

DTXCID501412243

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