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

Systemtic Name: ethyl 4-[2-(3-bromophenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3-bromobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[(3-bromophenyl)-oxomethoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-bromobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[2-(3-bromobenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C25H22BrN2O4+ MolecularWeight: 494.35718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O4/c1-2-31-25(30)21-15-28-22-19-9-4-3-6-16(19)10-11-20(22)23(21)27-12-13-32-24(29)17-7-5-8-18(26)14-17/h3-11,14-15H,2,12-13H2,1H3,(H,27,28)/p+1