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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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