1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]propan-1-ol hydrochloride

Systemtic Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]propan-1-ol hydrochloride Openeye Name: 1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-thienyl]propan-1-ol hydrochloride CAS Name: 1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-thiophenyl]-1-propanol hydrochloride IUPAC Name: 1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]thiophen-2-yl]propan-1-ol hydrochloride Traditional Name: 1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-thienyl]propan-1-ol hydrochloride Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CS1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.Cl

Isomeric SMILES

CCC(C1=CC(=CS1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.Cl

InChI

InChI=1S/C22H27N3OS.ClH/c1-3-20(26)21-14-17(15-27-21)19-13-16-7-5-6-8-18(16)22(23-19)25-11-9-24(4-2)10-12-25;/h5-8,13-15,20,26H,3-4,9-12H2,1-2H3;1H