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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)COC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)COC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-11-5-4-8-15(9-11)10-18-13-7-3-2-6-12(13)14(16)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,17)/t11-/m0/s1