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

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2

InChI

InChI=1S/C18H26N2O5/c1-14(17(21)19-7-10-23-2)25-18(22)16-5-3-15(4-6-16)13-20-8-11-24-12-9-20/h3-6,14H,7-13H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1