N-butyl-N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-butyl-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: N-butyl-N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-butyl-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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