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

Systemtic Name: 3-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 3-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 3-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propoxy]benzoate Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-2-15-8-3-4-10-18(15)11-6-12-21-16-9-5-7-14(13-16)17(19)20/h5,7,9,13,15H,2-4,6,8,10-12H2,1H3,(H,19,20)/t15-/m0/s1