1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperidin-4-ol trihydrochloride

Systemtic Name: 1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperidin-4-ol trihydrochloride Openeye Name: 1-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-pyridyl]piperidin-4-ol trihydrochloride CAS Name: 1-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-pyridinyl]-4-piperidinol trihydrochloride IUPAC Name: 1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]pyridin-2-yl]piperidin-4-ol trihydrochloride Traditional Name: 1-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-pyridyl]piperidin-4-ol trihydrochloride Formula: C25H34Cl3N5O MolecularWeight: 526.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCC(CC5)O.Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CN=C(C=C4)N5CCC(CC5)O.Cl.Cl.Cl

InChI

InChI=1S/C25H31N5O.3ClH/c1-2-28-13-15-30(16-14-28)25-22-6-4-3-5-19(22)17-23(27-25)20-7-8-24(26-18-20)29-11-9-21(31)10-12-29;;;/h3-8,17-18,21,31H,2,9-16H2,1H3;3*1H