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

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-16(26)19-7-9-21(10-8-19)24-22(27)17(2)30-23(28)20-5-3-18(4-6-20)15-25-11-13-29-14-12-25/h3-10,17H,11-15H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1