OntologieschebiclassesCHEBI:61269   
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scopolamine(1+)
http://purl.obolibrary.org/obo/CHEBI_61269

The ammonium ion resulting from the protonation of the amino group of scopolamine.

Also appears inslmdrongo
Exact Synonyms
(1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
Related Synonyms
(-)-hyoscine cation
(-)-hyoscine(1+)
(-)-scopolamine cation
(-)-scopolamine(1+)
(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate(1+)
6,7-epoxytropine tropate(1+)
6-beta,7-beta-epoxy-3-alpha-tropanyl S-(-)-tropate(1+)
alpha-(hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester(1+)
hyoscine cation
scopolamine cation
class Information
charge

+1

formula

C17H22NO4

has_dbxref

Reaxys:4154751

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/p+1/t11-,12-,13-,14+,15-,16+/m1/s1

inchikey

STECJAGHUSJQJN-FWXGHANASA-O

in_subset

3_STAR

mass

304.36090

monoisotopicmass

304.15433

smiles

C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

class Relations