2-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]ethanoate Openeye Name: 2-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate CAS Name: 2-[3-[(4-methyl-1-piperidin-1-iumyl)methyl]phenoxy]acetate IUPAC Name: 2-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate Traditional Name: 2-[3-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]acetate Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-12-5-7-16(8-6-12)10-13-3-2-4-14(9-13)19-11-15(17)18/h2-4,9,12H,5-8,10-11H2,1H3,(H,17,18)