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

Systemtic Name: methyl 4-(2-morpholin-4-ium-4-ylethanoylamino)benzoate Openeye Name: methyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate CAS Name: 4-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate Traditional Name: 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoic acid methyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-19-14(18)11-2-4-12(5-3-11)15-13(17)10-16-6-8-20-9-7-16/h2-5H,6-10H2,1H3,(H,15,17)/p+1