ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidene-propanoate

Systemtic Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidene-propanoate Openeye Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidene-propanoate CAS Name: 3-(methylthio)-3-(1-piperidin-1-iumylidene)propanoic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidenepropanoate Traditional Name: 3-(methylthio)-3-piperidin-1-ium-1-ylidene-propionic acid ethyl ester Formula: C11H20NO2S+ MolecularWeight: 230.347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=[N+]1CCCCC1)SC

Isomeric SMILES

CCOC(=O)CC(=[N+]1CCCCC1)SC

InChI

InChI=1S/C11H20NO2S/c1-3-14-11(13)9-10(15-2)12-7-5-4-6-8-12/h3-9H2,1-2H3/q+1