1-[[2-methoxy-5-methylsulfanyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium chloride

Systemtic Name: 1-[[2-methoxy-5-methylsulfanyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium chloride Openeye Name: 1-[[2-methoxy-5-methylsulfanyl-4-(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]methyl]tetrahydrothiophen-1-ium chloride CAS Name: 1-[[2-methoxy-5-(methylthio)-4-(1-thiolan-1-iumylmethyl)phenyl]methyl]thiolan-1-ium chloride IUPAC Name: 1-[[2-methoxy-5-methylsulfanyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium chloride Traditional Name: 1-[2-methoxy-5-(methylthio)-4-(tetrahydrothiophen-1-ium-1-ylmethyl)benzyl]tetrahydrothiophen-1-ium chloride Formula: C18H28ClOS3+ MolecularWeight: 392.06232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[S+]2CCCC2)SC)C[S+]3CCCC3.[Cl-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C[S+]2CCCC2)SC)C[S+]3CCCC3.[Cl-]

InChI

InChI=1S/C18H28OS3.ClH/c1-19-17-11-16(14-22-9-5-6-10-22)18(20-2)12-15(17)13-21-7-3-4-8-21;/h11-12H,3-10,13-14H2,1-2H3;1H/q+2;/p-1