(1-methylpiperidin-1-ium-3-yl) 2-(4-methylphenoxy)ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-methylphenoxy)ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-methylphenoxy)acetate chloride CAS Name: 2-(4-methylphenoxy)acetic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-methylphenoxy)acetate chloride Traditional Name: 2-(4-methylphenoxy)acetic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C15H22ClNO3 MolecularWeight: 299.79308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)OC2CCC[NH+](C2)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)OC2CCC[NH+](C2)C.[Cl-]

InChI

InChI=1S/C15H21NO3.ClH/c1-12-5-7-13(8-6-12)18-11-15(17)19-14-4-3-9-16(2)10-14;/h5-8,14H,3-4,9-11H2,1-2H3;1H