ethyl 4-[2-(4-fluorophenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[2-(4-fluorophenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(4-fluorobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)-oxomethoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluorobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[2-(4-fluorobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C25H22FN2O4+ MolecularWeight: 433.451583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C3=CC=C(C=C3)F)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C3=CC=C(C=C3)F)C=CC4=CC=CC=C42

InChI

InChI=1S/C25H21FN2O4/c1-2-31-25(30)21-15-28-22-19-6-4-3-5-16(19)9-12-20(22)23(21)27-13-14-32-24(29)17-7-10-18(26)11-8-17/h3-12,15H,2,13-14H2,1H3,(H,27,28)/p+1