N'-(6-methoxyquinolin-8-yl)-N'-methyl-butane-1,4-diamine diphosphate

Systemtic Name: N'-(6-methoxyquinolin-8-yl)-N'-methyl-butane-1,4-diamine diphosphate Openeye Name: N'-(6-methoxy-8-quinolyl)-N'-methyl-butane-1,4-diamine diphosphate CAS Name: N'-(6-methoxy-8-quinolinyl)-N'-methylbutane-1,4-diamine diphosphate IUPAC Name: N'-(6-methoxyquinolin-8-yl)-N'-methylbutane-1,4-diamine diphosphate Traditional Name: 4-aminobutyl-(6-methoxy-8-quinolyl)-methyl-amine diphosphate Formula: C15H21N3O9P2-6 MolecularWeight: 449.289462

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN)C1=C2C(=CC(=C1)OC)C=CC=N2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CN(CCCCN)C1=C2C(=CC(=C1)OC)C=CC=N2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H21N3O.2H3O4P/c1-18(9-4-3-7-16)14-11-13(19-2)10-12-6-5-8-17-15(12)14;2*1-5(2,3)4/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3;2*(H3,1,2,3,4)/p-6