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

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-14-5-3-7-17(15(14)2)23-21(28)24-18(26)13-30-20(27)16-6-4-8-22-19(16)25-9-11-29-12-10-25/h3-8H,9-13H2,1-2H3,(H2,23,24,26,28)/p+1