ethyl 1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-benzoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

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