SpectraBase Spectrum ID |
93F8niYuLEt |
Name |
(3as*,9bs*)-2,3,3A,4,5,9B-Hexahydro-1-(4-methoxybenzyl)-5-(4-toluenesulfonyl)-1H-pyrrololo[3,2-C]quinoline |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
448.182063941 u |
Formula |
C26H28N2O3S |
InChI |
InChI=1S/C26H28N2O3S/c1-19-7-13-23(14-8-19)32(29,30)28-18-21-15-16-27(17-20-9-11-22(31-2)12-10-20)26(21)24-5-3-4-6-25(24)28/h3-14,21,26H,15-18H2,1-2H3/t21-,26-/m0/s1 |
InChIKey |
SWLQRSAYOJOHLK-LVXARBLLSA-N |
Molecular Weight |
448.581 g/mol |
SMILES |
C1=2N(S(C3=CC=C(C=C3)C)(=O)=O)C[C@@]3(CCN([C@@]3(C1=CC=CC2)[H])CC1=CC=C(C=C1)OC)[H] |