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

Systemtic Name: N-cycloheptyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-cycloheptyl-piperidin-1-ium-4-carboxamide CAS Name: N-cycloheptyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cycloheptyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-cycloheptyl-piperidin-1-ium-4-carboxamide Formula: C27H37N2O2+ MolecularWeight: 421.59488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N2O2/c30-27(28-25-12-6-1-2-7-13-25)24-15-17-29(18-16-24)20-23-11-8-14-26(19-23)31-21-22-9-4-3-5-10-22/h3-5,8-11,14,19,24-25H,1-2,6-7,12-13,15-18,20-21H2,(H,28,30)/p+1