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

Systemtic Name: N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-benzyloxyphenyl)methyl]-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-ethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-benzyl-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C29H35N2O2+ MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-2-31(22-24-10-5-3-6-11-24)29(32)27-16-18-30(19-17-27)21-26-14-9-15-28(20-26)33-23-25-12-7-4-8-13-25/h3-15,20,27H,2,16-19,21-23H2,1H3/p+1