N4-(7-chloranyl-6-nitro-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate

Systemtic Name: N4-(7-chloranyl-6-nitro-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate Openeye Name: N4-(7-chloro-6-nitro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; phosphono dihydrogen phosphate CAS Name: N4-(7-chloro-6-nitro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate IUPAC Name: 4-N-(7-chloro-6-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphono dihydrogen phosphate Traditional Name: 4-[(7-chloro-6-nitro-4-quinolyl)amino]pentyl-diethyl-amine; phosphono dihydrogen phosphate Formula: C18H29ClN4O9P2 MolecularWeight: 542.844782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C18H25ClN4O2.H4O7P2/c1-4-22(5-2)10-6-7-13(3)21-16-8-9-20-17-12-15(19)18(23(24)25)11-14(16)17;1-8(2,3)7-9(4,5)6/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21);(H2,1,2,3)(H2,4,5,6)