| SpectraBase Spectrum ID |
1Z5hYlc0w1y |
| Name |
Carbamic acid, N-(4-methylbenzenesulphonyl)-,2-(6-methoxyquinolin-4-ylmethylene)quinuclidin-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.167142150 u |
| Formula |
C26H27N3O5S |
| InChI |
InChI=1S/C26H27N3O5S/c1-17-3-6-21(7-4-17)35(31,32)28-26(30)34-25-18-10-13-29(14-11-18)24(25)15-19-9-12-27-23-8-5-20(33-2)16-22(19)23/h3-9,12,15-16,18,25H,10-11,13-14H2,1-2H3,(H,28,30)/b24-15+/t25-/m0/s1 |
| InChIKey |
OFIIMZVENHMHMA-VVIXHQMUSA-N |
| Molecular Weight |
493.578 g/mol |
| SMILES |
C1=C(C=C2C(=C1)N=CC=C2\C=C/1N2CCC([C@@]1(OC(=O)NS(C1=CC=C(C)C=C1)(=O)=O)[H])CC2)OC |
