ethyl (3S)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-benzoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-2-25-22(24)20-11-7-13-23(16-20)15-19-10-6-12-21(14-19)26-17-18-8-4-3-5-9-18/h3-6,8-10,12,14,20H,2,7,11,13,15-17H2,1H3/p+1/t20-/m0/s1