(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-phenylacetate IUPAC Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-phenyl-acetate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c1-2-13-10-6-7-11-16(13)14(15(17)18)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,17,18)/t13-,14+/m0/s1