Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7YOD0
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| Ligand Name |
1-(4-{[3-(Isoquinolin-7-Yl)prop-2-Yn-1-Yl]oxy}-2-Methoxybenzyl)piperazinediium
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| Synonyms |
1-(4-{[3-(Isoquinolin-7-Yl)prop-2-Yn-1-Yl]oxy}-2-Methoxybenzyl)piperazinediium; 4umt; Q27454483; 47W
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| Structure |
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Download2D MOL |
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| Formula |
C24H27N3O2+2
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| Canonical SMILES |
COC1=C(C=CC(=C1)OCC#CC2=CC3=C(C=C2)C=CN=C3)C[NH+]4CC[NH2+]CC4
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| InChI |
1S/C24H25N3O2/c1-28-24-16-23(7-6-21(24)18-27-12-10-25-11-13-27)29-14-2-3-19-4-5-20-8-9-26-17-22(20)15-19/h4-9,15-17,25H,10-14,18H2,1H3/p+2
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| InChIKey |
SSBLXEABMBMHKV-UHFFFAOYSA-P
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| PubChem Compound ID | ||||
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