N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2,6-dimethylphenoxy)ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2,6-dimethylphenoxy)ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2,6-dimethylphenoxy)acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(2,6-dimethylphenoxy)acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2,6-dimethylphenoxy)acetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(2,6-dimethylphenoxy)acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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