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

Systemtic Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidene-propanoate iodide Openeye Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidene-propanoate iodide CAS Name: 3-(methylthio)-3-(1-piperidin-1-iumylidene)propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-methylsulfanyl-3-piperidin-1-ium-1-ylidenepropanoate iodide Traditional Name: 3-(methylthio)-3-piperidin-1-ium-1-ylidene-propionic acid ethyl ester iodide Formula: C11H20INO2S MolecularWeight: 357.25147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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