(1-methylpiperidin-1-ium-4-yl) 2-(2-methylphenoxy)ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(2-methylphenoxy)ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(2-methylphenoxy)acetate chloride CAS Name: 2-(2-methylphenoxy)acetic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(2-methylphenoxy)acetate chloride Traditional Name: 2-(2-methylphenoxy)acetic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C15H22ClNO3 MolecularWeight: 299.79308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)OC2CC[NH+](CC2)C.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)OC2CC[NH+](CC2)C.[Cl-]

InChI

InChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)18-11-15(17)19-13-7-9-16(2)10-8-13;/h3-6,13H,7-11H2,1-2H3;1H