[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H27N2O6+ MolecularWeight: 415.45958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-27-19-8-7-18(13-20(19)28-2)23-21(25)15-30-22(26)17-5-3-16(4-6-17)14-24-9-11-29-12-10-24/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,25)/p+1