N1-(6-methoxy-4-methyl-quinolin-8-yl)hexane-1,5-diamine diphosphate

Systemtic Name: N1-(6-methoxy-4-methyl-quinolin-8-yl)hexane-1,5-diamine diphosphate Openeye Name: N1-(6-methoxy-4-methyl-8-quinolyl)hexane-1,5-diamine diphosphate CAS Name: N1-(6-methoxy-4-methyl-8-quinolinyl)hexane-1,5-diamine diphosphate IUPAC Name: 1-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,5-diamine diphosphate Traditional Name: 5-aminohexyl-(6-methoxy-4-methyl-8-quinolyl)amine diphosphate Formula: C17H25N3O9P2-6 MolecularWeight: 477.342622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O.2H3O4P/c1-12-7-9-20-17-15(12)10-14(21-3)11-16(17)19-8-5-4-6-13(2)18;2*1-5(2,3)4/h7,9-11,13,19H,4-6,8,18H2,1-3H3;2*(H3,1,2,3,4)/p-6