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atropinium

Go to external page http://purl.obolibrary.org/obo/CHEBI_57858

An ammonium ion that is the conjugate acid of atropine arising from protonation of the tertiary amino group; major species at pH 7.3.

Term info

Label

atropinium

Synonyms
  • (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane
Subsets

3_STAR

IUPAC NAME
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane [ IUPAC ]

charge

+1

formula

C17H24NO3

has obo namespace

chebi_ontology

has related synonym

atropinium cation, atropinium(1+), atropine

id

CHEBI:57858

inchi

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16?

inchikey

RKUNBYITZUJHSG-SPUOUPEWSA-O

mass

290.37740

monoisotopicmass

290.17507

smiles

C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1