diethyl 2-[[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]iminomethyl]propanedioate

Systemtic Name: diethyl 2-[[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]iminomethyl]propanedioate Openeye Name: diethyl 2-[[(1S,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]iminomethyl]propanedioate CAS Name: 2-[[(1S,2S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]iminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]iminomethyl]propanedioate Traditional Name: 2-[[(1S,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]iminomethyl]malonic acid diethyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(C)C(C1=CC=CC=C1)[NH+]2CCOCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C=N[C@@H](C)[C@H](C1=CC=CC=C1)[NH+]2CCOCC2)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-4-27-20(24)18(21(25)28-5-2)15-22-16(3)19(17-9-7-6-8-10-17)23-11-13-26-14-12-23/h6-10,15-16,18-19H,4-5,11-14H2,1-3H3/p+1/t16-,19+/m0/s1