| SpectraBase Spectrum ID |
IkFZY5OqjAg |
| Name |
1-(4-Methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[c]isothiazol-1-ium chloride |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19ClN2OS |
| InChI |
InChI=1S/C16H18N2OS.ClH/c1-12-7-9-13(10-8-12)16(19)17-18-15-6-4-2-3-5-14(15)11-20-18;/h7-11H,2-6H2,1H3;1H |
| InChIKey |
MGWSXUGQZWHQGP-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/prac.19943360204 |
| Molecular Weight |
322.854 g/mol |
| SMILES |
N([n+]1c2c(cs1)CCCCC2)C(c1ccc(cc1)C)=O.[Cl-] |
| SPLASH |
splash10-014i-2910000000-c50b795746b4b8504c09 |
| Source of Spectrum |
JF-336-120-10b |
| Wiley ID |
1789865 |
![1-(4-Methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[c]isothiazol-1-ium chloride](/api/spectrum/IkFZY5OqjAg/structure.png?h=300&w=458 "1-(4-Methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[c]isothiazol-1-ium chloride")
