3-(2-morpholin-4-ium-4-ylethanoylamino)benzoate

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethanoylamino)benzoate Openeye Name: 3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate CAS Name: 3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate Traditional Name: 3-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c16-12(9-15-4-6-19-7-5-15)14-11-3-1-2-10(8-11)13(17)18/h1-3,8H,4-7,9H2,(H,14,16)(H,17,18)