ethyl 4-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4,5-trimethoxyphenyl)carbonyloxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4,5-trimethoxybenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[oxo-(3,4,5-trimethoxyphenyl)methoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4,5-trimethoxybenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[2-(3,4,5-trimethoxybenzoyl)oxyethylamino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C28H29N2O7+ MolecularWeight: 505.53906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O7/c1-5-36-28(32)21-16-30-24-19-9-7-6-8-17(19)10-11-20(24)25(21)29-12-13-37-27(31)18-14-22(33-2)26(35-4)23(15-18)34-3/h6-11,14-16H,5,12-13H2,1-4H3,(H,29,30)/p+1