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2-[4-[5-[1-(4-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol

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2-[4-[5-[1-(4-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol
SpectraBase Compound ID ESHp9IBrAAc
InChI InChI=1S/C26H29ClN6O3/c1-17-14-19-15-22(35-2)23(36-3)16-21(19)24(18-4-6-20(27)7-5-18)33(17)26-28-25(29-30-26)32-10-8-31(9-11-32)12-13-34/h4-7,14-16,34H,8-13H2,1-3H3
InChIKey NCZFZALUZXJDEX-UHFFFAOYSA-N
Mol Weight 509.01 g/mol
Molecular Formula C26H29ClN6O3
Exact Mass 508.198967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fNgorfGc6l
Name 2-[4-[5-[1-(4-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol
Compound Number 8/46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29ClN6O3
InChI InChI=1S/C26H29ClN6O3/c1-17-14-19-15-22(35-2)23(36-3)16-21(19)24(18-4-6-20(27)7-5-18)33(17)26-28-25(29-30-26)32-10-8-31(9-11-32)12-13-34/h4-7,14-16,34H,8-13H2,1-3H3
InChIKey NCZFZALUZXJDEX-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 509.008 g/mol
Solvent DMSO-D6
Source File Reference UWLU21184