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1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(4-methylpiperazin-1-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium

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1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(4-methylpiperazin-1-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium
SpectraBase Compound ID 53RzZf32LD2
InChI InChI=1S/C25H27ClN6O2/c1-16-13-17-14-21(33-3)22(34-4)15-19(17)23(18-7-5-6-8-20(18)26)32(16)25-27-24(28-29-25)31-11-9-30(2)10-12-31/h5-8,13-15H,9-12H2,1-4H3
InChIKey PRONGFQRVXZZMV-UHFFFAOYSA-N
Mol Weight 478.98 g/mol
Molecular Formula C25H27ClN6O2
Exact Mass 478.188402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvQOeTQjb2A
Name 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(4-methylpiperazin-1-yl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium
Compound Number 8/44
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H27ClN6O2
InChI InChI=1S/C25H27ClN6O2/c1-16-13-17-14-21(33-3)22(34-4)15-19(17)23(18-7-5-6-8-20(18)26)32(16)25-27-24(28-29-25)31-11-9-30(2)10-12-31/h5-8,13-15H,9-12H2,1-4H3
InChIKey PRONGFQRVXZZMV-UHFFFAOYSA-N
Literature Reference Author I.PRAUDA,I.KOEVESDI,P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,403(2001)
Literature Reference DOI 10.1002/jhet.5570380215
Molecular Weight 478.981 g/mol
Solvent CDCl3
Source File Reference UWLU21182