2-[4-[1-(4-propylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanol dihydrochloride

Systemtic Name: 2-[4-[1-(4-propylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanol dihydrochloride Openeye Name: 2-[4-[1-(4-propylpiperazin-1-yl)-3-isoquinolyl]phenoxy]ethanol dihydrochloride CAS Name: 2-[4-[1-(4-propyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]ethanol dihydrochloride IUPAC Name: 2-[4-[1-(4-propylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanol dihydrochloride Traditional Name: 2-[4-[1-(4-propylpiperazino)-3-isoquinolyl]phenoxy]ethanol dihydrochloride Formula: C24H31Cl2N3O2 MolecularWeight: 464.42784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCO.Cl.Cl

Isomeric SMILES

CCCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OCCO.Cl.Cl

InChI

InChI=1S/C24H29N3O2.2ClH/c1-2-11-26-12-14-27(15-13-26)24-22-6-4-3-5-20(22)18-23(25-24)19-7-9-21(10-8-19)29-17-16-28;;/h3-10,18,28H,2,11-17H2,1H3;2*1H