4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-13-5-2-3-10-17(13)11-4-12-20-15-8-6-14(7-9-15)16(18)19/h6-9,13H,2-5,10-12H2,1H3,(H,18,19)/t13-/m0/s1