2-(1-piperidin-1-ium-1-ylideneethylsulfanyl)ethanoic acid bromide

Systemtic Name: 2-(1-piperidin-1-ium-1-ylideneethylsulfanyl)ethanoic acid bromide Openeye Name: 2-(1-piperidin-1-ium-1-ylideneethylsulfanyl)acetic acid bromide CAS Name: 2-[1-(1-piperidin-1-iumylidene)ethylthio]acetic acid bromide IUPAC Name: 2-(1-piperidin-1-ium-1-ylideneethylsulfanyl)acetic acid bromide Traditional Name: 2-(1-piperidin-1-ium-1-ylideneethylthio)acetic acid bromide Formula: C9H16BrNO2S MolecularWeight: 282.19784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCCCC1)SCC(=O)O.[Br-]

Isomeric SMILES

CC(=[N+]1CCCCC1)SCC(=O)O.[Br-]

InChI

InChI=1S/C9H15NO2S.BrH/c1-8(13-7-9(11)12)10-5-3-2-4-6-10;/h2-7H2,1H3;1H