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

Systemtic Name: ethyl 6-ethyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(benzylamino)-6-ethyl-quinolin-1-ium-3-carboxylate CAS Name: 6-ethyl-4-[(phenylmethyl)amino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylamino)-6-ethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(benzylamino)-6-ethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC3=CC=CC=C3

InChI

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