Description
IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
InChI: InChI=1S/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
InChIKey: HUJXHFRXWWGYQH-UHFFFAOYSA-O
Canonical SMILES: C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC
Isomeric SMILES: C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
Synonyms: Sinapine; 18696-26-9; Sinapoylcholine; O-sinapoylcholine; sinapin; Sinapine cation; trans-Sinapine; Sinapine ion; …
Botanical Source: Rape seed meal