5-azaniumylpentan-2-yl-(6-methoxyquinolin-8-yl)azanium; dihydrogen phosphate

Systemtic Name: 5-azaniumylpentan-2-yl-(6-methoxyquinolin-8-yl)azanium; dihydrogen phosphate Openeye Name: (4-azaniumyl-1-methyl-butyl)-(6-methoxy-8-quinolyl)ammonium; dihydrogen phosphate CAS Name: 5-ammoniopentan-2-yl-(6-methoxy-8-quinolinyl)ammonium; dihydrogen phosphate IUPAC Name: 5-azaniumylpentan-2-yl-(6-methoxyquinolin-8-yl)azanium; dihydrogen phosphate Traditional Name: (4-ammonio-1-methyl-butyl)-(6-methoxy-8-quinolyl)ammonium; dihydrogen phosphate Formula: C15H27N3O9P2 MolecularWeight: 455.337102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[NH3+])[NH2+]C1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)[O-].OP(=O)(O)[O-]

Isomeric SMILES

CC(CCC[NH3+])[NH2+]C1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)[O-].OP(=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)