ethyl 6-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-methyl-4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-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)18-14-23-19-10-9-15(2)13-17(19)20(18)22-12-11-16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23)/p+1