ethyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: ethyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: ethyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 3-[(2-methyl-4-quinolin-1-iumyl)amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 3-[(2-methylquinolin-1-ium-4-yl)amino]benzoic acid ethyl ester chloride Formula: C19H19ClN2O2 MolecularWeight: 342.81936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=CC=CC=C32)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=CC=CC=C32)C.[Cl-]

InChI

InChI=1S/C19H18N2O2.ClH/c1-3-23-19(22)14-7-6-8-15(12-14)21-18-11-13(2)20-17-10-5-4-9-16(17)18;/h4-12H,3H2,1-2H3,(H,20,21);1H