3-[[1-(2-methylpropyl)-7-nonoxy-4-oxidanylidene-quinolin-3-yl]carbonylamino]propylazanium chloride

Systemtic Name: 3-[[1-(2-methylpropyl)-7-nonoxy-4-oxidanylidene-quinolin-3-yl]carbonylamino]propylazanium chloride Openeye Name: 3-[(1-isobutyl-7-nonoxy-4-oxo-quinoline-3-carbonyl)amino]propylammonium chloride CAS Name: 3-[[[1-(2-methylpropyl)-7-nonoxy-4-oxo-3-quinolinyl]-oxomethyl]amino]propylammonium chloride IUPAC Name: 3-[[1-(2-methylpropyl)-7-nonoxy-4-oxoquinoline-3-carbonyl]amino]propylazanium chloride Traditional Name: 3-[(1-isobutyl-4-keto-7-nonoxy-quinoline-3-carbonyl)amino]propylammonium chloride Formula: C26H42ClN3O3 MolecularWeight: 480.08298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(C=C1)C(=O)C(=CN2CC(C)C)C(=O)NCCC[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(C=C1)C(=O)C(=CN2CC(C)C)C(=O)NCCC[NH3+].[Cl-]

InChI

InChI=1S/C26H41N3O3.ClH/c1-4-5-6-7-8-9-10-16-32-21-12-13-22-24(17-21)29(18-20(2)3)19-23(25(22)30)26(31)28-15-11-14-27;/h12-13,17,19-20H,4-11,14-16,18,27H2,1-3H3,(H,28,31);1H