N',N'-diethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine; phosphoric acid

Systemtic Name: N',N'-diethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine; phosphoric acid Openeye Name: N',N'-diethyl-N-(6-nitro-4-quinolyl)propane-1,3-diamine; phosphoric acid CAS Name: N',N'-diethyl-N-(6-nitro-4-quinolinyl)propane-1,3-diamine; phosphoric acid IUPAC Name: N',N'-diethyl-N-(6-nitroquinolin-4-yl)propane-1,3-diamine; phosphoric acid Traditional Name: diethyl-[3-[(6-nitro-4-quinolyl)amino]propyl]amine; phosphoric acid Formula: C16H28N4O10P2 MolecularWeight: 498.361842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2.2H3O4P/c1-3-19(4-2)11-5-9-17-16-8-10-18-15-7-6-13(20(21)22)12-14(15)16;2*1-5(2,3)4/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,17,18);2*(H3,1,2,3,4)