(2R)-2-[[1-[(4-morpholin-4-ylcarbonylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[[1-[(4-morpholin-4-ylcarbonylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[[1-[[4-[4-morpholinyl(oxo)methyl]phenyl]methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[1-[4-(morpholine-4-carbonyl)benzyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC(C2=CC=CC=C2)C(=O)[O-])CC3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N[C@H](C2=CC=CC=C2)C(=O)[O-])CC3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C26H31N3O5/c30-24(27-23(26(32)33)20-4-2-1-3-5-20)21-10-12-28(13-11-21)18-19-6-8-22(9-7-19)25(31)29-14-16-34-17-15-29/h1-9,21,23H,10-18H2,(H,27,30)(H,32,33)/t23-/m1/s1