ethyl 6-(dimethylamino)-3-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-3-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-3-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-3-(4-morpholin-4-iumylmethyl)-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-3-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-4-keto-3-(morpholin-4-ium-4-ylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C19H25N3O4/c1-4-26-19(24)17-15(12-22-7-9-25-10-8-22)18(23)14-11-13(21(2)3)5-6-16(14)20-17/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,23)/p+1