methyl 4-[(4-ethoxyphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 4-[(4-ethoxyphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate Openeye Name: methyl 4-(4-ethoxyanilino)-2-methyl-quinolin-1-ium-6-carboxylate CAS Name: 4-(4-ethoxyanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyanilino)-2-methylquinolin-1-ium-6-carboxylate Traditional Name: 2-methyl-4-(p-phenetidino)quinolin-1-ium-6-carboxylic acid methyl ester Formula: C20H21N2O3+ MolecularWeight: 337.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O3/c1-4-25-16-8-6-15(7-9-16)22-19-11-13(2)21-18-10-5-14(12-17(18)19)20(23)24-3/h5-12H,4H2,1-3H3,(H,21,22)/p+1