1-[(7-chloranylquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol diphosphate

Systemtic Name: 1-[(7-chloranylquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol diphosphate Openeye Name: 1-[(7-chloro-4-quinolyl)amino]-3-(diethylamino)propan-2-ol diphosphate CAS Name: 1-[(7-chloro-4-quinolinyl)amino]-3-(diethylamino)-2-propanol diphosphate IUPAC Name: 1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol diphosphate Traditional Name: 1-[(7-chloro-4-quinolyl)amino]-3-(diethylamino)propan-2-ol diphosphate Formula: C16H22ClN3O9P2-6 MolecularWeight: 497.761102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC1=C2C=CC(=CC2=NC=C1)Cl)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC)CC(CNC1=C2C=CC(=CC2=NC=C1)Cl)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H22ClN3O.2H3O4P/c1-3-20(4-2)11-13(21)10-19-15-7-8-18-16-9-12(17)5-6-14(15)16;2*1-5(2,3)4/h5-9,13,21H,3-4,10-11H2,1-2H3,(H,18,19);2*(H3,1,2,3,4)/p-6