3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]oxolan-2-one bromide

Systemtic Name: 3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]oxolan-2-one bromide Openeye Name: 3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]tetrahydrofuran-2-one bromide CAS Name: 3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)thio]-2-oxolanone bromide IUPAC Name: 3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]oxolan-2-one bromide Traditional Name: 3-[(1-methyl-1-pyrrolin-1-ium-2-yl)thio]tetrahydrofuran-2-one bromide Formula: C9H14BrNO2S MolecularWeight: 280.18196

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCC1)SC2CCOC2=O.[Br-]

Isomeric SMILES

C[N+]1=C(CCC1)SC2CCOC2=O.[Br-]

InChI

InChI=1S/C9H14NO2S.BrH/c1-10-5-2-3-8(10)13-7-4-6-12-9(7)11;/h7H,2-6H2,1H3;1H/q+1;/p-1