ethyl 2-morpholin-4-yl-6-nitro-4-phenyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-morpholin-4-yl-6-nitro-4-phenyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 2-morpholino-6-nitro-4-phenyl-quinolin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-6-nitro-4-phenyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-morpholin-4-yl-6-nitro-4-phenylquinolin-1-ium-3-carboxylate Traditional Name: 2-morpholino-6-nitro-4-phenyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H22N3O5+ MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H21N3O5/c1-2-30-22(26)20-19(15-6-4-3-5-7-15)17-14-16(25(27)28)8-9-18(17)23-21(20)24-10-12-29-13-11-24/h3-9,14H,2,10-13H2,1H3/p+1