[(1S)-3-morpholin-4-yl-1-phenyl-propyl]-[(2R)-2-oxidanyl-3-phenyl-propyl]azanium benzoate

Systemtic Name: [(1S)-3-morpholin-4-yl-1-phenyl-propyl]-[(2R)-2-oxidanyl-3-phenyl-propyl]azanium benzoate Openeye Name: [(2R)-2-hydroxy-3-phenyl-propyl]-[(1S)-3-morpholino-1-phenyl-propyl]ammonium benzoate CAS Name: [(2R)-2-hydroxy-3-phenylpropyl]-[(1S)-3-(4-morpholinyl)-1-phenylpropyl]ammonium benzoate IUPAC Name: [(2R)-2-hydroxy-3-phenylpropyl]-[(1S)-3-morpholin-4-yl-1-phenylpropyl]azanium benzoate Traditional Name: [(2R)-2-hydroxy-3-phenyl-propyl]-[(1S)-3-morpholino-1-phenyl-propyl]ammonium benzoate Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(C2=CC=CC=C2)[NH2+]CC(CC3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C1COCCN1CC[C@@H](C2=CC=CC=C2)[NH2+]C[C@@H](CC3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C22H30N2O2.C7H6O2/c25-21(17-19-7-3-1-4-8-19)18-23-22(20-9-5-2-6-10-20)11-12-24-13-15-26-16-14-24;8-7(9)6-4-2-1-3-5-6/h1-10,21-23,25H,11-18H2;1-5H,(H,8,9)/t21-,22+;/m1./s1