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

Systemtic Name: N-phenethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: N-phenethyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c31-28(29-17-14-23-8-3-1-4-9-23)26-15-18-30(19-16-26)21-25-12-7-13-27(20-25)32-22-24-10-5-2-6-11-24/h1-13,20,26H,14-19,21-22H2,(H,29,31)/p+1