1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol dihydrochloride

Systemtic Name: 1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol dihydrochloride Openeye Name: 1-[5-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]thiazol-2-yl]propan-1-ol dihydrochloride CAS Name: 1-[5-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-thiazolyl]-1-propanol dihydrochloride IUPAC Name: 1-[5-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-1,3-thiazol-2-yl]propan-1-ol dihydrochloride Traditional Name: 1-[5-[1-(4-ethylpiperazino)-3-isoquinolyl]thiazol-2-yl]propan-1-ol dihydrochloride Formula: C21H28Cl2N4OS MolecularWeight: 455.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC=C(S1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.Cl.Cl

Isomeric SMILES

CCC(C1=NC=C(S1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)O.Cl.Cl

InChI

InChI=1S/C21H26N4OS.2ClH/c1-3-18(26)21-22-14-19(27-21)17-13-15-7-5-6-8-16(15)20(23-17)25-11-9-24(4-2)10-12-25;;/h5-8,13-14,18,26H,3-4,9-12H2,1-2H3;2*1H