1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-oxo-1-phenylpropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-oxo-1-phenylpropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-phenyl-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)[O-]

InChI

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