[8-[5-(diethylamino)pentylamino]quinolin-6-yl] benzoate hydroiodide

Systemtic Name: [8-[5-(diethylamino)pentylamino]quinolin-6-yl] benzoate hydroiodide Openeye Name: [8-[5-(diethylamino)pentylamino]-6-quinolyl] benzoate hydroiodide CAS Name: benzoic acid [8-[5-(diethylamino)pentylamino]-6-quinolinyl] ester hydroiodide IUPAC Name: [8-[5-(diethylamino)pentylamino]quinolin-6-yl] benzoate hydroiodide Traditional Name: benzoic acid [8-[5-(diethylamino)pentylamino]-6-quinolyl] ester hydroiodide Formula: C25H32IN3O2 MolecularWeight: 533.44495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCNC1=C2C(=CC(=C1)OC(=O)C3=CC=CC=C3)C=CC=N2.I

Isomeric SMILES

CCN(CC)CCCCCNC1=C2C(=CC(=C1)OC(=O)C3=CC=CC=C3)C=CC=N2.I

InChI

InChI=1S/C25H31N3O2.HI/c1-3-28(4-2)17-10-6-9-15-26-23-19-22(18-21-14-11-16-27-24(21)23)30-25(29)20-12-7-5-8-13-20;/h5,7-8,11-14,16,18-19,26H,3-4,6,9-10,15,17H2,1-2H3;1H