ethyl (2S)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-phenylmethoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-benzoxybenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-2-25-22(24)21-10-6-7-15-23(21)16-18-11-13-20(14-12-18)26-17-19-8-4-3-5-9-19/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3/p+1/t21-/m0/s1