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

Systemtic Name: ethyl 4-[2-(2-methylphenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(2-methylbenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[(2-methylphenyl)-oxomethoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methylbenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-o-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=C3C)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C3=CC=CC=C3C)C=CC4=CC=CC=C42

InChI

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