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6,7-DIMETHOXY-3-METHYL-1-(4-METHYLPHENYL)-N-(2'-BENZYL-5'-METHYLTHIO-1,2,4-TRIAZOL-3'-YL)-ISOQUINOLINIUM-CHLORIDE
SpectraBase Compound ID GTznIp6JMA3
InChI InChI=1S/C29H29N4O2S.ClH/c1-19-11-13-22(14-12-19)27-24-17-26(35-4)25(34-3)16-23(24)15-20(2)33(27)29-30-28(36-5)31-32(29)18-21-9-7-6-8-10-21;/h6-17H,18H2,1-5H3;1H/q+1;/p-1
InChIKey OHZFUHWUUFSZFP-UHFFFAOYSA-M
Mol Weight 533.09 g/mol
Molecular Formula C29H29ClN4O2S
Exact Mass 532.169975 g/mol
Parent InChIKey PVNGOGOQMCYUDP-UHFFFAOYSA-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
On triazoles XLIII. Synthesis of 1,2,4-triazolyl isoquinolinium zwitter ions Journal of Heterocyclic Chemistry 2001

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