ethyl 2-(1-piperidin-1-ium-1-ylidenebutylsulfanyl)ethanoate

Systemtic Name: ethyl 2-(1-piperidin-1-ium-1-ylidenebutylsulfanyl)ethanoate Openeye Name: ethyl 2-(1-piperidin-1-ium-1-ylidenebutylsulfanyl)acetate CAS Name: 2-[1-(1-piperidin-1-iumylidene)butylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-piperidin-1-ium-1-ylidenebutylsulfanyl)acetate Traditional Name: 2-(1-piperidin-1-ium-1-ylidenebutylthio)acetic acid ethyl ester Formula: C13H24NO2S+ MolecularWeight: 258.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=[N+]1CCCCC1)SCC(=O)OCC

Isomeric SMILES

CCCC(=[N+]1CCCCC1)SCC(=O)OCC

InChI

InChI=1S/C13H24NO2S/c1-3-8-12(14-9-6-5-7-10-14)17-11-13(15)16-4-2/h3-11H2,1-2H3/q+1