ethyl 8-ethyl-4-(2-morpholin-4-ylethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-ethyl-4-(2-morpholin-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-ethyl-4-(2-morpholinoethylamino)quinolin-1-ium-3-carboxylate CAS Name: 8-ethyl-4-[2-(4-morpholinyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-ethyl-4-(2-morpholin-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 8-ethyl-4-(2-morpholinoethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)NCCN3CCOCC3

Isomeric SMILES

CCC1=CC=CC2=C(C(=C[NH+]=C21)C(=O)OCC)NCCN3CCOCC3

InChI

InChI=1S/C20H27N3O3/c1-3-15-6-5-7-16-18(15)22-14-17(20(24)26-4-2)19(16)21-8-9-23-10-12-25-13-11-23/h5-7,14H,3-4,8-13H2,1-2H3,(H,21,22)/p+1