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

Systemtic Name: ethyl 4-(phenethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(phenethylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(phenethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(phenethylamino)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(C2=CC=CC=C2[NH+]=C1)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2[NH+]=C1)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-2-24-20(23)17-14-22-18-11-7-6-10-16(18)19(17)21-13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,21,22)/p+1