N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3,4-dimethylphenoxy)ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(3,4-dimethylphenoxy)acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O2/c1-16-3-8-21(13-17(16)2)27-15-22(26)24-20-9-11-25(12-10-20)14-18-4-6-19(23)7-5-18/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,24,26)/p+1