ethyl (2S)-3-phenyl-2-piperidin-1-ium-1-yl-propanoate

Systemtic Name: ethyl (2S)-3-phenyl-2-piperidin-1-ium-1-yl-propanoate Openeye Name: ethyl (2S)-3-phenyl-2-piperidin-1-ium-1-yl-propanoate CAS Name: (2S)-3-phenyl-2-(1-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-phenyl-2-piperidin-1-ium-1-ylpropanoate Traditional Name: (2S)-3-phenyl-2-piperidin-1-ium-1-yl-propionic acid ethyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)[NH+]2CCCCC2

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)[NH+]2CCCCC2

InChI

InChI=1S/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3/p+1/t15-/m0/s1