dimethyl 5-(2-morpholin-4-ium-4-ylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-morpholin-4-ium-4-ylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-morpholin-4-ium-4-ylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-morpholin-4-ium-4-ylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-morpholin-4-ium-4-ylacetyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H21N2O6+ MolecularWeight: 337.34774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-22-15(20)11-7-12(16(21)23-2)9-13(8-11)17-14(19)10-18-3-5-24-6-4-18/h7-9H,3-6,10H2,1-2H3,(H,17,19)/p+1