methyl 4,5-dimethoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[4-(4-morpholin-4-iumylmethyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]benzoic acid methyl ester Formula: C22H27N2O6+ MolecularWeight: 415.45958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)OC

InChI

InChI=1S/C22H26N2O6/c1-27-19-12-17(22(26)29-3)18(13-20(19)28-2)23-21(25)16-6-4-15(5-7-16)14-24-8-10-30-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,25)/p+1