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

Systemtic Name: N-cyclopentyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-cyclopentyl-piperidin-1-ium-4-carboxamide CAS Name: N-cyclopentyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopentyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-cyclopentyl-piperidin-1-ium-4-carboxamide Formula: C25H33N2O2+ MolecularWeight: 393.54172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c28-25(26-23-10-4-5-11-23)22-13-15-27(16-14-22)18-21-9-6-12-24(17-21)29-19-20-7-2-1-3-8-20/h1-3,6-9,12,17,22-23H,4-5,10-11,13-16,18-19H2,(H,26,28)/p+1