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

Systemtic Name: ethyl 4-(2-pyridin-4-ylcarbonyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(pyridine-4-carbonyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-[2-[oxo(pyridin-4-yl)methoxy]ethylamino]-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(pyridine-4-carbonyloxy)ethylamino]benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-isonicotinoyloxyethylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C24H22N3O4+ MolecularWeight: 416.44918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4/c1-2-30-24(29)20-15-27-21-18-6-4-3-5-16(18)7-8-19(21)22(20)26-13-14-31-23(28)17-9-11-25-12-10-17/h3-12,15H,2,13-14H2,1H3,(H,26,27)/p+1