dimethyl 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-(4-morpholin-4-iumylmethyl)phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H25N2O6+ MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H24N2O6/c1-28-21(26)17-7-8-18(22(27)29-2)19(13-17)23-20(25)16-5-3-15(4-6-16)14-24-9-11-30-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)/p+1