[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-18(20-5-3-2-4-6-20)15-24-22(26)17-29-23(27)21-9-7-19(8-10-21)16-25-11-13-28-14-12-25/h2-10,18H,11-17H2,1H3,(H,24,26)/p+1/t18-/m1/s1