(2R)-2-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]ethanoate

Systemtic Name: (2R)-2-phenyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]ethanoate Openeye Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetate CAS Name: (2R)-2-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenylacetate Traditional Name: (2R)-2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-2-phenyl-acetate Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c24-20(22-19(21(25)26)17-9-5-2-6-10-17)18-11-13-23(14-12-18)15-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,22,24)(H,25,26)/t19-/m1/s1