2-(4-chloranyl-3-methyl-phenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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