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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-(3-imidazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCCN2C=CN=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCCN2C=CN=C2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c31-26(28-12-5-14-30-17-13-27-21-30)24-10-15-29(16-11-24)19-23-8-4-9-25(18-23)32-20-22-6-2-1-3-7-22/h1-4,6-9,13,17-18,21,24H,5,10-12,14-16,19-20H2,(H,28,31)/p+1