Sinapoylcholine

[(Science: chemistry) An alkaloid occuring in the seeds of mustard. It is extracted, in combination with sulphocyanic acid, as a white crystalline substance, having a hot, bitter taste. When sinapine is isolated it is unstable and undergoes decomposition. Origin: L. Sinapi, sinapis, mustard, Gr., cf. F. Sinapine.

Molecular Formula: C₁₆H₂₄NO₅⁺

InChI: InChI=1/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1/fC16H24NO5/h19H/q+1/b7-6+

InChIKey: InChIKey=HUJXHFRXWWGYQH-BDGDYJPEDZ
SMILES: COc1cc(\C=C\C(=O)OCC[N+](C)(C)C)cc(OC)c1O

CAS number 18696-26-9

Names:
    O-sinapoylcholine
    Sinapine
    sinapine
    Sinapoylcholine
    sinapoylcholine
    Sinapoylcholine
    2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium
    2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]oxyethyl-trimethyl-azanium

Registries:
    PubChem CID 5280385
    Beilstein =4933491
    CAS 18696-26-9 (from NIST)
    ChEBI 16353
    Kegg C00933
    PubChem ID 17184574
    PubChem ID 4185