3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethoxy]benzoate

Systemtic Name: 3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethoxy]benzoate CAS Name: 3-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethoxy]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-12-5-2-3-8-16(12)9-10-19-14-7-4-6-13(11-14)15(17)18/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,17,18)/t12-/m0/s1