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

Systemtic Name: ethyl 2-methyl-3-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCOCC3)C

InChI

InChI=1S/C18H22N2O4/c1-3-24-18(22)13-4-5-16-14(10-13)17(21)15(12(2)19-16)11-20-6-8-23-9-7-20/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21)/p+1