ethyl 8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate CAS Name: 8-methyl-4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 8-methyl-4-(phenethylamino)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(=CC=CC2=C1NCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=CC=CC2=C1NCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2/c1-3-25-21(24)18-14-23-19-15(2)8-7-11-17(19)20(18)22-13-12-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)/p+1