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

Systemtic Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methoxy]benzoate Openeye Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methoxy]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methoxy]benzoate IUPAC Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methoxy]benzoate Traditional Name: 3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methoxy]benzoate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1COC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1COC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-11-5-2-3-8-15(11)10-18-13-7-4-6-12(9-13)14(16)17/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H,16,17)/t11-/m0/s1