1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol trihydrochloride

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol trihydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]piperidin-4-ol trihydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-4-piperidinol trihydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]piperidin-4-ol trihydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]piperidin-4-ol trihydrochloride Formula: C26H35Cl3N4O MolecularWeight: 525.9413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O.3ClH/c1-2-28-15-17-30(18-16-28)26-24-6-4-3-5-21(24)19-25(27-26)20-7-9-22(10-8-20)29-13-11-23(31)12-14-29;;;/h3-10,19,23,31H,2,11-18H2,1H3;3*1H