N4-(7-chloranyl-6-nitro-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine diphosphate

Systemtic Name: N4-(7-chloranyl-6-nitro-quinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine diphosphate Openeye Name: N4-(7-chloro-6-nitro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine diphosphate CAS Name: N4-(7-chloro-6-nitro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine diphosphate IUPAC Name: 4-N-(7-chloro-6-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine diphosphate Traditional Name: 4-[(7-chloro-6-nitro-4-quinolyl)amino]pentyl-diethyl-amine diphosphate Formula: C18H25ClN4O10P2-6 MolecularWeight: 554.812422

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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-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2.2H3O4P/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;2*1-5(2,3)4/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)/p-6