5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]isoquinoline trihydrochloride

Systemtic Name: 5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]isoquinoline trihydrochloride Openeye Name: 5-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]isoquinoline trihydrochloride CAS Name: 5-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]isoquinoline trihydrochloride IUPAC Name: 5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]isoquinoline trihydrochloride Traditional Name: 5-[3-[4-(2-pyridyl)piperazino]propoxy]isoquinoline trihydrochloride Formula: C21H27Cl3N4O MolecularWeight: 457.82428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN=C3)C4=CC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN=C3)C4=CC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C21H24N4O.3ClH/c1-2-9-23-21(7-1)25-14-12-24(13-15-25)11-4-16-26-20-6-3-5-18-17-22-10-8-19(18)20;;;/h1-3,5-10,17H,4,11-16H2;3*1H