(Q82927699)

English

1-(Piperidin-1-yl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)

group of stereoisomers with the chemical formula C₃₇H₅₈Cl₃N₃O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

729.3442049960001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₈Cl₃N₃O₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1CC(O)CN1CCCCC1.Cl.Cl.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(O)CN1CCCCC1.Cl.Cl.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H55N3O5.3ClH/c1-6-25-22-39-14-10-26-18-34(42-2)36(44-4)20-30(26)32(39)16-28(25)17-33-31-21-37(45-5)35(43-3)19-27(31)11-15-40(33)24-29(41)23-38-12-8-7-9-13-38;;;/h18-21,25,28-29,32-33,41H,6-17,22-24H2,1-5H3;3*1H/t25-,28+,29?,32-,33+;;;/m0.../s1

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InChIKey

PMCGBJXDRUOCKW-DDLKYBQASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001377945

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(Q82927699)

1-(Piperidin-1-yl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)

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Identifiers

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