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

Systemtic Name: ethyl 4-[2-(3-methylphenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3-methylbenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[(3-methylphenyl)-oxomethoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methylbenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-m-toluoyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C26H25N2O4+ MolecularWeight: 429.4877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O4/c1-3-31-26(30)22-16-28-23-20-10-5-4-8-18(20)11-12-21(23)24(22)27-13-14-32-25(29)19-9-6-7-17(2)15-19/h4-12,15-16H,3,13-14H2,1-2H3,(H,27,28)/p+1