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

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-13-7-4-5-10-17(13)11-6-12-20-15-9-3-2-8-14(15)16(18)19/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,19)/t13-/m0/s1