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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/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/p+1