N1-(5,6-dimethoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine diphosphate

Systemtic Name: N1-(5,6-dimethoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine diphosphate Openeye Name: N1-(5,6-dimethoxy-4-methyl-8-quinolyl)pentane-1,4-diamine diphosphate CAS Name: N1-(5,6-dimethoxy-4-methyl-8-quinolinyl)pentane-1,4-diamine diphosphate IUPAC Name: 1-N-(5,6-dimethoxy-4-methylquinolin-8-yl)pentane-1,4-diamine diphosphate Traditional Name: 4-aminopentyl-(5,6-dimethoxy-4-methyl-8-quinolyl)amine diphosphate Formula: C17H25N3O10P2-6 MolecularWeight: 493.342022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C(C2=NC=C1)NCCCC(C)N)OC)OC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=C2C(=C(C=C(C2=NC=C1)NCCCC(C)N)OC)OC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H25N3O2.2H3O4P/c1-11-7-9-20-16-13(19-8-5-6-12(2)18)10-14(21-3)17(22-4)15(11)16;2*1-5(2,3)4/h7,9-10,12,19H,5-6,8,18H2,1-4H3;2*(H3,1,2,3,4)/p-6