(2R)-2-methylpiperidin-1-ium; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (2R)-2-methylpiperidin-1-ium; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2S)-2-hydroxy-2-phenyl-acetate; (2R)-2-methylpiperidin-1-ium CAS Name: (2S)-2-hydroxy-2-phenylacetate; (2R)-2-methylpiperidin-1-ium IUPAC Name: (2S)-2-hydroxy-2-phenylacetate; (2R)-2-methylpiperidin-1-ium Traditional Name: (2S)-2-hydroxy-2-phenyl-acetate; (2R)-2-methylpiperidin-1-ium Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH2+]1.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C[C@@H]1CCCC[NH2+]1.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C8H8O3.C6H13N/c9-7(8(10)11)6-4-2-1-3-5-6;1-6-4-2-3-5-7-6/h1-5,7,9H,(H,10,11);6-7H,2-5H2,1H3/t7-;6-/m01/s1