[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C16H21N3O5/c1-17-16(22)18-14(20)11-24-15(21)13-4-2-12(3-5-13)10-19-6-8-23-9-7-19/h2-5H,6-11H2,1H3,(H2,17,18,20,22)/p+1