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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(3-methylphenoxy)acetamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-16-3-2-4-20(13-16)26-15-21(25)23-19-9-11-24(12-10-19)14-17-5-7-18(22)8-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)/p+1