2-[[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-4-yl]amino]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[[7,8-bis(chloranyl)-3-ethoxycarbonyl-quinolin-4-yl]amino]ethyl-dimethyl-azanium chloride Openeye Name: 2-[(7,8-dichloro-3-ethoxycarbonyl-4-quinolyl)amino]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(7,8-dichloro-3-ethoxycarbonyl-4-quinolinyl)amino]ethyl-dimethylammonium chloride IUPAC Name: 2-[(7,8-dichloro-3-ethoxycarbonylquinolin-4-yl)amino]ethyl-dimethylazanium chloride Traditional Name: 2-[(3-carbethoxy-7,8-dichloro-4-quinolyl)amino]ethyl-dimethyl-ammonium chloride Formula: C16H20Cl3N3O2 MolecularWeight: 392.7079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC[NH+](C)C)C=CC(=C2Cl)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC[NH+](C)C)C=CC(=C2Cl)Cl.[Cl-]

InChI

InChI=1S/C16H19Cl2N3O2.ClH/c1-4-23-16(22)11-9-20-15-10(5-6-12(17)13(15)18)14(11)19-7-8-21(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,19,20);1H