N1,N1-diethyl-N4-(6-nitroquinolin-4-yl)pentane-1,4-diamine diphosphate

Systemtic Name: N1,N1-diethyl-N4-(6-nitroquinolin-4-yl)pentane-1,4-diamine diphosphate Openeye Name: N1,N1-diethyl-N4-(6-nitro-4-quinolyl)pentane-1,4-diamine diphosphate CAS Name: N1,N1-diethyl-N4-(6-nitro-4-quinolinyl)pentane-1,4-diamine diphosphate IUPAC Name: 1-N,1-N-diethyl-4-N-(6-nitroquinolin-4-yl)pentane-1,4-diamine diphosphate Traditional Name: diethyl-[4-[(6-nitro-4-quinolyl)amino]pentyl]amine diphosphate Formula: C18H26N4O10P2-6 MolecularWeight: 520.367362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2.2H3O4P/c1-4-21(5-2)12-6-7-14(3)20-18-10-11-19-17-9-8-15(22(23)24)13-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,19,20);2*(H3,1,2,3,4)/p-6