[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol dihydrochloride

Systemtic Name: [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol dihydrochloride Openeye Name: [4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-thienyl]methanol dihydrochloride CAS Name: [4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-thiophenyl]methanol dihydrochloride IUPAC Name: [4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol dihydrochloride Traditional Name: [4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-thienyl]methanol dihydrochloride Formula: C20H25Cl2N3OS MolecularWeight: 426.403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CSC(=C4)CO.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CSC(=C4)CO.Cl.Cl

InChI

InChI=1S/C20H23N3OS.2ClH/c1-2-22-7-9-23(10-8-22)20-18-6-4-3-5-15(18)12-19(21-20)16-11-17(13-24)25-14-16;;/h3-6,11-12,14,24H,2,7-10,13H2,1H3;2*1H