ethyl 2-[2-(oxan-2-yl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(oxan-2-yl)-1-piperidin-1-ium-1-ylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-(1-piperidin-1-ium-1-ylidene-2-tetrahydropyran-2-yl-ethyl)sulfanylacetate CAS Name: 2-[[2-(2-oxanyl)-1-(1-piperidin-1-iumylidene)ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(oxan-2-yl)-1-piperidin-1-ium-1-ylideneethyl]sulfanylacetate Traditional Name: 2-[(1-piperidin-1-ium-1-ylidene-2-tetrahydropyran-2-yl-ethyl)thio]acetic acid ethyl ester Formula: C16H28NO3S+ MolecularWeight: 314.46342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=[N+]1CCCCC1)CC2CCCCO2

Isomeric SMILES

CCOC(=O)CSC(=[N+]1CCCCC1)CC2CCCCO2

InChI

InChI=1S/C16H28NO3S/c1-2-19-16(18)13-21-15(17-9-5-3-6-10-17)12-14-8-4-7-11-20-14/h14H,2-13H2,1H3/q+1