3-[(2-morpholin-4-ium-4-ylethanoylamino)methyl]benzoate

Systemtic Name: 3-[(2-morpholin-4-ium-4-ylethanoylamino)methyl]benzoate Openeye Name: 3-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate CAS Name: 3-[[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 3-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate Traditional Name: 3-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)NCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-13(10-16-4-6-20-7-5-16)15-9-11-2-1-3-12(8-11)14(18)19/h1-3,8H,4-7,9-10H2,(H,15,17)(H,18,19)