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

Systemtic Name: 2-[(8-chloranyl-3-ethoxycarbonyl-quinolin-4-yl)amino]ethyl-dimethyl-azanium chloride Openeye Name: 2-[(8-chloro-3-ethoxycarbonyl-4-quinolyl)amino]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(8-chloro-3-ethoxycarbonyl-4-quinolinyl)amino]ethyl-dimethylammonium chloride IUPAC Name: 2-[(8-chloro-3-ethoxycarbonylquinolin-4-yl)amino]ethyl-dimethylazanium chloride Traditional Name: 2-[(3-carbethoxy-8-chloro-4-quinolyl)amino]ethyl-dimethyl-ammonium chloride Formula: C16H21Cl2N3O2 MolecularWeight: 358.26284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2.ClH/c1-4-22-16(21)12-10-19-15-11(6-5-7-13(15)17)14(12)18-8-9-20(2)3;/h5-7,10H,4,8-9H2,1-3H3,(H,18,19);1H