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

Systemtic Name: ethyl 6-bromanyl-4-(phenethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(phenethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-(phenethylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(phenethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(phenethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H20BrN2O2+ MolecularWeight: 400.289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O2/c1-2-25-20(24)17-13-23-18-9-8-15(21)12-16(18)19(17)22-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)/p+1