N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine diphosphate

Systemtic Name: N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine diphosphate Openeye Name: N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine diphosphate CAS Name: N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine diphosphate IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine diphosphate Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine diphosphate Formula: C15H21N3O9P2-6 MolecularWeight: 449.289462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)/p-6