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

Systemtic Name: 5-methyl-3-[[1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]sulfanyl]oxolan-2-one bromide Openeye Name: 3-[(1-benzyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one bromide CAS Name: 5-methyl-3-[[1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-5-yl]thio]-2-oxolanone bromide IUPAC Name: 3-[(1-benzyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)sulfanyl]-5-methyloxolan-2-one bromide Traditional Name: 3-[(1-benzyl-1-pyrrolin-1-ium-2-yl)thio]-5-methyl-tetrahydrofuran-2-one bromide Formula: C16H20BrNO2S MolecularWeight: 370.3045

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=[N+](CCC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1CC(C(=O)O1)SC2=[N+](CCC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H20NO2S.BrH/c1-12-10-14(16(18)19-12)20-15-8-5-9-17(15)11-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11H2,1H3;1H/q+1;/p-1