N-butyl-N-ethyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-N-ethyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-N-butyl-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: N-butyl-N-ethyl-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-N-ethyl-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxybenzyl)-N-butyl-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C26H37N2O2+ MolecularWeight: 409.58418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-17-28(4-2)26(29)24-15-18-27(19-16-24)20-22-11-13-25(14-12-22)30-21-23-9-7-6-8-10-23/h6-14,24H,3-5,15-21H2,1-2H3/p+1