[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C20H23N3O4/c1-14-5-6-16(12-15(14)2)22-18(24)13-27-20(25)17-4-3-7-21-19(17)23-8-10-26-11-9-23/h3-7,12H,8-11,13H2,1-2H3,(H,22,24)/p+1