(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2S)-2-(4-ethoxyphenyl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2S)-2-piperidin-1-ium-1-yl-2-p-phenetyl-acetate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C15H21NO3/c1-2-19-13-8-6-12(7-9-13)14(15(17)18)16-10-4-3-5-11-16/h6-9,14H,2-5,10-11H2,1H3,(H,17,18)/t14-/m0/s1