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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-phenylmethoxyphenyl)methyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-phenylmethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxybenzyl)-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CN=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2/c30-26(28-18-23-7-4-14-27-17-23)24-12-15-29(16-13-24)19-21-8-10-25(11-9-21)31-20-22-5-2-1-3-6-22/h1-11,14,17,24H,12-13,15-16,18-20H2,(H,28,30)/p+1