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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(3-methylphenoxy)ethanoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)OC2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OC2CC[NH+](CC2)C

InChI

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