1-[[2,5-dimethyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride

Systemtic Name: 1-[[2,5-dimethyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride Openeye Name: 1-[[2,5-dimethyl-4-(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]methyl]tetrahydrothiophen-1-ium dichloride CAS Name: 1-[[2,5-dimethyl-4-(1-thiolan-1-iumylmethyl)phenyl]methyl]thiolan-1-ium dichloride IUPAC Name: 1-[[2,5-dimethyl-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride Traditional Name: 1-[2,5-dimethyl-4-(tetrahydrothiophen-1-ium-1-ylmethyl)benzyl]tetrahydrothiophen-1-ium dichloride Formula: C18H28Cl2S2 MolecularWeight: 379.45092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[S+]2CCCC2)C)C[S+]3CCCC3.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C[S+]2CCCC2)C)C[S+]3CCCC3.[Cl-].[Cl-]

InChI

InChI=1S/C18H28S2.2ClH/c1-15-11-18(14-20-9-5-6-10-20)16(2)12-17(15)13-19-7-3-4-8-19;;/h11-12H,3-10,13-14H2,1-2H3;2*1H/q+2;;/p-2