ethyl 6-methyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-methyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)-6-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-methyl-4-[(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-6-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)-6-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O2/c1-3-24-20(23)17-13-21-18-10-9-14(2)11-16(18)19(17)22-12-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)/p+1