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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-12-4-3-7-16(11-12)8-9-19-14-6-2-5-13(10-14)15(17)18/h2,5-6,10,12H,3-4,7-9,11H2,1H3,(H,17,18)/t12-/m0/s1