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

Systemtic Name: 2-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 2-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate CAS Name: 2-[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 2-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 2-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-2-13-7-5-6-10-17(13)11-12-20-15-9-4-3-8-14(15)16(18)19/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19)/t13-/m0/s1