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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-16(20(24)22-19-5-3-2-4-6-19)27-21(25)18-9-7-17(8-10-18)15-23-11-13-26-14-12-23/h2-10,16H,11-15H2,1H3,(H,22,24)/p+1/t16-/m1/s1