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

Systemtic Name: 5-methyl-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]-5-methyl-tetrahydrofuran-2-one bromide CAS Name: 5-methyl-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]-5-methyloxolan-2-one bromide Traditional Name: 3-[(1-benzyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)thio]-5-methyl-tetrahydrofuran-2-one bromide Formula: C17H22BrNO2S MolecularWeight: 384.33108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=[N+](CCCC2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1CC(C(=O)O1)SC2=[N+](CCCC2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H22NO2S.BrH/c1-13-11-15(17(19)20-13)21-16-9-5-6-10-18(16)12-14-7-3-2-4-8-14;/h2-4,7-8,13,15H,5-6,9-12H2,1H3;1H/q+1;/p-1