2-[(2,6-dimethylphenyl)-(2-ethoxyquinolin-4-yl)carbonyl-amino]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[(2,6-dimethylphenyl)-(2-ethoxyquinolin-4-yl)carbonyl-amino]ethyl-diethyl-azanium chloride Openeye Name: 2-(N-(2-ethoxyquinoline-4-carbonyl)-2,6-dimethyl-anilino)ethyl-diethyl-ammonium chloride CAS Name: 2-(N-[(2-ethoxy-4-quinolinyl)-oxomethyl]-2,6-dimethylanilino)ethyl-diethylammonium chloride IUPAC Name: 2-(N-(2-ethoxyquinoline-4-carbonyl)-2,6-dimethylanilino)ethyl-diethylazanium chloride Traditional Name: 2-(N-(2-ethoxyquinoline-4-carbonyl)-2,6-dimethyl-anilino)ethyl-diethyl-ammonium chloride Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=C(C=CC=C1C)C)C(=O)C2=CC(=NC3=CC=CC=C32)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=C(C=CC=C1C)C)C(=O)C2=CC(=NC3=CC=CC=C32)OCC.[Cl-]

InChI

InChI=1S/C26H33N3O2.ClH/c1-6-28(7-2)16-17-29(25-19(4)12-11-13-20(25)5)26(30)22-18-24(31-8-3)27-23-15-10-9-14-21(22)23;/h9-15,18H,6-8,16-17H2,1-5H3;1H