Chemical Component Summary

Name1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
Identifiers7-[3-[3-methoxy-4-(piperazine-1,4-diium-1-ylmethyl)phenoxy]prop-1-ynyl]isoquinoline
FormulaC24 H27 N3 O2
Molecular Weight389.49
TypeNON-POLYMER
Isomeric SMILESCOc1cc(ccc1C[NH+]2CC[NH2+]CC2)OCC#Cc3ccc4ccncc4c3
InChIInChI=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
InChIKeySSBLXEABMBMHKV-UHFFFAOYSA-P

Chemical Details

Formal Charge2
Atom Count56
Chiral Atom Count0
Bond Count59
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 85325329