3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propane-1,2-diol dihydrochloride

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propane-1,2-diol dihydrochloride Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenoxy]propane-1,2-diol dihydrochloride CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]propane-1,2-diol dihydrochloride IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propane-1,2-diol dihydrochloride Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenoxy]propane-1,2-diol dihydrochloride Formula: C24H31Cl2N3O3 MolecularWeight: 480.42724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC(CO)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCC(CO)O.Cl.Cl

InChI

InChI=1S/C24H29N3O3.2ClH/c1-2-26-11-13-27(14-12-26)24-22-6-4-3-5-19(22)15-23(25-24)18-7-9-21(10-8-18)30-17-20(29)16-28;;/h3-10,15,20,28-29H,2,11-14,16-17H2,1H3;2*1H