Trigonelline

[N-methylnicotinic acid;the methyl betaine of nicotinic acid; a product of the metabolism of nicotinic acid; excreted in the urine. Synonym: caffearine, trigenolline.

Molecular Formula: C₇H₇NO₂

InChI: InChI=1/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3

InChIKey: InChIKey=WWNNZCOKKKDOPX-UHFFFAOYAV
SMILES: C[n+]1cccc(c1)C([O-])=O

CAS number 535-83-1

Names:
    Betaine nicotinate
    Caffearin
    Gynesine
    N-Methylnicotinate
    N-methylnicotinate
    N-Methylnicotinate
    N-methylnicotinate
    Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt
    Trigenelline
    Trigonelline
    1-methylnicotinate
    1-methylpyridine-5-carboxylate
    1-Methylpyridinio-3-carboxylate

Registries:
    PubChem CID 5570
    CAS 535-83-1 (from NIST)
    ChEBI 18123
    Kegg C01004
    PubChem ID 10525847
    PubChem ID 4250