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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C17H23N2O6+ MolecularWeight: 351.37432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6/c1-2-24-17(22)18-15(20)12-25-16(21)14-5-3-13(4-6-14)11-19-7-9-23-10-8-19/h3-6H,2,7-12H2,1H3,(H,18,20,22)/p+1