N1-(6-methoxy-2-methyl-quinolin-8-yl)pentane-1,4-diamine diphosphate

Systemtic Name: N1-(6-methoxy-2-methyl-quinolin-8-yl)pentane-1,4-diamine diphosphate Openeye Name: N1-(6-methoxy-2-methyl-8-quinolyl)pentane-1,4-diamine diphosphate CAS Name: N1-(6-methoxy-2-methyl-8-quinolinyl)pentane-1,4-diamine diphosphate IUPAC Name: 1-N-(6-methoxy-2-methylquinolin-8-yl)pentane-1,4-diamine diphosphate Traditional Name: 4-aminopentyl-(6-methoxy-2-methyl-8-quinolyl)amine diphosphate Formula: C16H23N3O9P2-6 MolecularWeight: 463.316042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C=C1)OC)NCCCC(C)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C=C1)OC)NCCCC(C)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C16H23N3O.2H3O4P/c1-11(17)5-4-8-18-15-10-14(20-3)9-13-7-6-12(2)19-16(13)15;2*1-5(2,3)4/h6-7,9-11,18H,4-5,8,17H2,1-3H3;2*(H3,1,2,3,4)/p-6