CHEBI:61269 - scopolamine(1+)

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ChEBI Name scopolamine(1+) ChEBI ID CHEBI:61269 Definition The ammonium ion resulting from the protonation of the amino group of scopolamine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H22NO4 Net Charge +1 Average Mass 304.36090 Monoisotopic Mass 304.15433 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 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 ChEBI Ontology Outgoing scopolamine(1+) (CHEBI:61269) is a ammonium ion derivative (CHEBI:35274) scopolamine(1+) (CHEBI:61269) is conjugate acid of scopolamine (CHEBI:16794) Incoming scopolamine hydrobromide (anhydrous) (CHEBI:61271) has part scopolamine(1+) (CHEBI:61269) scopolamine (CHEBI:16794) is conjugate base of scopolamine(1+) (CHEBI:61269) IUPAC Name (1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Synonyms Sources (−)-hyoscine cation ChEBI (−)-hyoscine(1+) ChEBI (−)-scopolamine cation ChEBI (−)-scopolamine(1+) ChEBI (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate(1+) ChEBI 6,7-epoxytropine tropate(1+) ChEBI 6-β,7-β-epoxy-3-α-tropanyl S-(−)-tropate(1+) ChEBI α-(hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester(1+) ChEBI hyoscine cation ChEBI scopolamine cation ChEBI Registry Number Type Source 4154751 Reaxys Registry Number Reaxys Last Modified 27 June 2011