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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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