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

Systemtic Name: 3-[[1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]sulfanyl]oxolan-2-one bromide Openeye Name: 3-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]tetrahydrofuran-2-one bromide CAS Name: 3-[[1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-6-yl]thio]-2-oxolanone bromide IUPAC Name: 3-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)sulfanyl]oxolan-2-one bromide Traditional Name: 3-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)thio]tetrahydrofuran-2-one bromide Formula: C16H20BrNO2S MolecularWeight: 370.3045

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C1)SC2CCOC2=O)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[N+](=C(C1)SC2CCOC2=O)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H20NO2S.BrH/c18-16-14(9-11-19-16)20-15-8-4-5-10-17(15)12-13-6-2-1-3-7-13;/h1-3,6-7,14H,4-5,8-12H2;1H/q+1;/p-1