N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-propane-1,3-diamine; phosphoric acid

Systemtic Name: N-(7-chloranyl-6-nitro-quinolin-4-yl)-N',N'-diethyl-propane-1,3-diamine; phosphoric acid Openeye Name: N-(7-chloro-6-nitro-4-quinolyl)-N',N'-diethyl-propane-1,3-diamine; phosphoric acid CAS Name: N-(7-chloro-6-nitro-4-quinolinyl)-N',N'-diethylpropane-1,3-diamine; phosphoric acid IUPAC Name: N-(7-chloro-6-nitroquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine; phosphoric acid Traditional Name: 3-[(7-chloro-6-nitro-4-quinolyl)amino]propyl-diethyl-amine; phosphoric acid Formula: C16H27ClN4O10P2 MolecularWeight: 532.806902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CCN(CC)CCCNC1=C2C=C(C(=CC2=NC=C1)Cl)[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C16H21ClN4O2.2H3O4P/c1-3-20(4-2)9-5-7-18-14-6-8-19-15-11-13(17)16(21(22)23)10-12(14)15;2*1-5(2,3)4/h6,8,10-11H,3-5,7,9H2,1-2H3,(H,18,19);2*(H3,1,2,3,4)