ethyl 4-(2-thiophen-2-ylcarbonyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(2-thiophen-2-ylcarbonyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(thiophene-2-carbonyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[oxo(thiophen-2-yl)methoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(thiophene-2-carbonyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-[2-(2-thenoyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H21N2O4S+ MolecularWeight: 421.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C3=CC=CS3)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCOC(=O)C3=CC=CS3)C=CC4=CC=CC=C42

InChI

InChI=1S/C23H20N2O4S/c1-2-28-22(26)18-14-25-20-16-7-4-3-6-15(16)9-10-17(20)21(18)24-11-12-29-23(27)19-8-5-13-30-19/h3-10,13-14H,2,11-12H2,1H3,(H,24,25)/p+1