methyl 2-[4-[[(3S)-piperidin-1-ium-3-yl]methoxy]phenyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OCC2CCC[NH2+]C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C15H21NO3/c1-18-15(17)9-12-4-6-14(7-5-12)19-11-13-3-2-8-16-10-13/h4-7,13,16H,2-3,8-11H2,1H3/p+1/t13-/m0/s1