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

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-1-(diethylamino)butan-2-ol diphosphate Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-1-(diethylamino)butan-2-ol diphosphate CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-1-(diethylamino)-2-butanol diphosphate IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-1-(diethylamino)butan-2-ol diphosphate Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-1-(diethylamino)butan-2-ol diphosphate Formula: C17H24ClN3O9P2-6 MolecularWeight: 511.787682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CCNC1=C2C=CC(=CC2=NC=C1)Cl)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN(CC)CC(CCNC1=C2C=CC(=CC2=NC=C1)Cl)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H24ClN3O.2H3O4P/c1-3-21(4-2)12-14(22)7-9-19-16-8-10-20-17-11-13(18)5-6-15(16)17;2*1-5(2,3)4/h5-6,8,10-11,14,22H,3-4,7,9,12H2,1-2H3,(H,19,20);2*(H3,1,2,3,4)/p-6