(Q82964173)

English

4,4'-(Nonane-1,9-diyl)bis[1-(hydroxymethyl)hexahydro-1H-pyrrolizin-4-ium] dibromide

group of stereoisomers with the chemical formula C₂₅H₄₈Br₂N₂O₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

566.2082529759998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₈Br₂N₂O₂

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based on heuristic

inferred from SMILES

canonical SMILES

OCC1CC[N+]2(CCCCCCCCC[N+]34CCCC3C(CO)CC4)CCCC12.[Br-].[Br-]

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

OC[C@@H]1CC[N+]2(CCCCCCCCC[N+]34CCC[C@@H]3[C@H](CO)CC4)CCC[C@H]12.[Br-].[Br-]

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H48N2O2.2BrH/c28-20-22-12-18-26(16-8-10-24(22)26)14-6-4-2-1-3-5-7-15-27-17-9-11-25(27)23(21-29)13-19-27;;/h22-25,28-29H,1-21H2;2*1H/q+2;;/p-2/t22-,23-,24+,25+,26?,27?;;/m0../s1

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InChIKey

RGGASBQMTMAKGX-PMBIMDAHSA-L

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26 December 2021

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DSSTOX compound identifier

DTXCID001406025

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(Q82964173)

4,4'-(Nonane-1,9-diyl)bis[1-(hydroxymethyl)hexahydro-1H-pyrrolizin-4-ium] dibromide

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