2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methoxy]benzoate

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methoxy]benzoate Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methoxy]benzoate CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methoxy]benzoate IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methoxy]benzoate Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methoxy]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1COC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1COC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-2-12-7-5-6-10-16(12)11-19-14-9-4-3-8-13(14)15(17)18/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,17,18)/t12-/m0/s1