3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]oxolan-2-one bromide

Systemtic Name: 3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]oxolan-2-one bromide Openeye Name: 3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]tetrahydrofuran-2-one bromide CAS Name: 3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)thio]-2-oxolanone bromide IUPAC Name: 3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]oxolan-2-one bromide Traditional Name: 3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)thio]tetrahydrofuran-2-one bromide Formula: C10H16BrNO2S MolecularWeight: 294.20854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCCC1)SC2CCOC2=O.[Br-]

Isomeric SMILES

C[N+]1=C(CCCC1)SC2CCOC2=O.[Br-]

InChI

InChI=1S/C10H16NO2S.BrH/c1-11-6-3-2-4-9(11)14-8-5-7-13-10(8)12;/h8H,2-7H2,1H3;1H/q+1;/p-1