| SpectraBase Spectrum ID |
IwDG9wFHkQq |
| Name |
Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt |
| Alternate Name(s) |
1-Methyl-3-pyridiniumcarboxylate
1-Methyl-3-pyridin-1-iumcarboxylate
1-Methylpyridin-1-ium-3-carboxylate
1-Methylpyridinio-3-carboxylate
3-Carboxy-1-methylpyridinium hydroxide, inner salt
Betain nicotinate
Betaine nicotinate
Caffearin
Caffearine
Coffearin
Coffearine
Gynesine
N'-Methylnicotinic acid
N-Methylnicotinate
N-Methylnicotinic acid
Nicotinic acid N-methylbetaine
Pyridinium, 3-carboxy-1-methyl-, inner salt
Trigenelline
Trigenolline
Trigonellin
Trigonelline
BRN 3905114
CCRIS 1332 |
| CAS Registry Number |
535-83-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H7NO2 |
| InChI |
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 |
| InChIKey |
WWNNZCOKKKDOPX-UHFFFAOYSA-N |
| Molecular Weight |
137.138 g/mol |
| SMILES |
C[n+]1cccc(c1)C([O-])=O |
| SPLASH |
splash10-0pdu-9700000000-ece5b1719aeecf9033b5 |
| Source of Spectrum |
EP-1672-0-0 |
| Wiley ID |
1137161 |
