| SpectraBase Spectrum ID |
rBWmBt3k36 |
| Name |
(3R,4R)-3-Hydroxymethyl-2-methyl-4-(4-methylthiophenyl)-3,4-dihydtoisoquinolinium iodide |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20INOS |
| InChI |
InChI=1S/C18H20NOS.HI/c1-19-11-14-5-3-4-6-16(14)18(17(19)12-20)13-7-9-15(21-2)10-8-13;/h3-11,17-18,20H,12H2,1-2H3;1H/q+1;/p-1/t17-,18+;/m0./s1 |
| InChIKey |
QWWFSIVMODSEBD-CJRXIRLBSA-M |
| Molecular Weight |
425.328 g/mol |
| SMILES |
[I-].OC[C@@]1([N+](=Cc2ccccc2[C@]1(c1ccc(SC)cc1)[H])C)[H] |
| SPLASH |
splash10-00xu-0950000000-144cc4b0491608ade826 |
| Source of Spectrum |
KD-15-2504-16 |
| Wiley ID |
1637146 |
