ethyl 7,8-dimethyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)-7,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 7,8-dimethyl-4-[(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-7,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)-7,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-4-25-21(24)18-13-23-19-15(3)14(2)10-11-17(19)20(18)22-12-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H,22,23)/p+1