N-(2-hydroxyethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxybenzyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCO)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCO)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c25-15-12-23-22(26)20-10-13-24(14-11-20)16-18-6-8-21(9-7-18)27-17-19-4-2-1-3-5-19/h1-9,20,25H,10-17H2,(H,23,26)/p+1