(Q82913736)

English

7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium nitrate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

380.1583511079999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₄N₂O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.O=[N+]([O-])[O-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1C1OC12.O=[N+]([O-])[O-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C18H24NO4.NO3/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-17,20H,8-10H2,1-2H3;/q+1;-1/t12?,13-,14-,15+,16?,17?;/m1./s1

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InChIKey

BSQIVYOSLFLSGE-UFBPGTJLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BSQIVYOSLFLSGE-UFBPGTJLSA-N

1 reference

1 reference

matched by identifier from

InChIKey

BSQIVYOSLFLSGE-UFBPGTJLSA-N

DSSTOX compound identifier

DTXCID401366079

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(Q82913736)

7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium nitrate

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