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

Systemtic Name: methyl 2-methyl-3-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: methyl 2-methyl-3-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-(4-morpholin-4-iumylmethyl)-4-oxo-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-3-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinoline-6-carboxylic acid methyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCOCC3

InChI

InChI=1S/C17H20N2O4/c1-11-14(10-19-5-7-23-8-6-19)16(20)13-9-12(17(21)22-2)3-4-15(13)18-11/h3-4,9H,5-8,10H2,1-2H3,(H,18,20)/p+1