4-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate

Systemtic Name: 4-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 4-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate CAS Name: 4-[2-[(2S)-2-ethyl-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 4-[2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-2-14-5-3-4-10-17(14)11-12-20-15-8-6-13(7-9-15)16(18)19/h6-9,14H,2-5,10-12H2,1H3,(H,18,19)/t14-/m0/s1