(3R)-1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-oxo-1-phenylpropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-oxo-1-phenylpropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-phenyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)[NH+]2CCC[C@H](C2)C(=O)[O-]

InChI

InChI=1S/C15H19NO3/c1-11(14(17)12-6-3-2-4-7-12)16-9-5-8-13(10-16)15(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,19)/t11-,13+/m0/s1