[(3S)-1-methylpiperidin-1-ium-3-yl] 2-(2-methylphenoxy)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)OC2CCC[NH+](C2)C

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)O[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C15H21NO3/c1-12-6-3-4-8-14(12)18-11-15(17)19-13-7-5-9-16(2)10-13/h3-4,6,8,13H,5,7,9-11H2,1-2H3/p+1/t13-/m0/s1