[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H26N2O5/c1-16(21(25)23-19-7-9-20(27-2)10-8-19)29-22(26)18-5-3-17(4-6-18)15-24-11-13-28-14-12-24/h3-10,16H,11-15H2,1-2H3,(H,23,25)/p+1/t16-/m1/s1