(Q82899423)

English

Bis[3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate--hydrogen chloride (1/2)

group of stereoisomers with the chemical formula C₃₀H₄₆Cl₂N₂O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

568.283463312 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆Cl₂N₂O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C(CCCOC(=O)c2cccc(C(=O)OCCCC3CC4CCCC4N3C)c2)CC2CCCC21.Cl.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C(CCCOC(=O)c2cccc(C(=O)OCCC[C@@H]3C[C@@H]4CCC[C@@H]4N3C)c2)CC2CCCC21.Cl.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H44N2O4.2ClH/c1-31-25(19-21-8-4-14-27(21)31)12-6-16-35-29(33)23-10-3-11-24(18-23)30(34)36-17-7-13-26-20-22-9-5-15-28(22)32(26)2;;/h3,10-11,18,21-22,25-28H,4-9,12-17,19-20H2,1-2H3;2*1H/t21-,22?,25+,26?,27-,28?;;/m0../s1

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InChIKey

GTUYQSDRGMCESD-DCGOCGOKSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID901353986

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(Q82899423)

Bis[3-(1-methyloctahydrocyclopenta[b]pyrrol-2-yl)propyl] benzene-1,3-dicarboxylate--hydrogen chloride (1/2)

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