ethyl (3S)-1-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-oxidanyl-2-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-hydroxy-2-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C16H23NO3/c1-2-20-16(19)14-9-6-10-17(11-14)12-15(18)13-7-4-3-5-8-13/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3/p+1/t14-,15-/m0/s1