2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: 2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(2-thenyl)piperidin-1-ium-4-yl]acetate Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC(=O)[O-])CC2=CC=CS2

Isomeric SMILES

C1C[NH+](CCC1CC(=O)[O-])CC2=CC=CS2

InChI

InChI=1S/C12H17NO2S/c14-12(15)8-10-3-5-13(6-4-10)9-11-2-1-7-16-11/h1-2,7,10H,3-6,8-9H2,(H,14,15)