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

Systemtic Name: 2,5-dimethoxy-2-[[4-(thiolan-1-ium-2-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride Openeye Name: 2,5-dimethoxy-2-[[4-(tetrahydrothiophen-1-ium-2-ylmethyl)phenyl]methyl]tetrahydrothiophen-1-ium dichloride CAS Name: 2,5-dimethoxy-2-[[4-(2-thiolan-1-iumylmethyl)phenyl]methyl]thiolan-1-ium dichloride IUPAC Name: 2,5-dimethoxy-2-[[4-(thiolan-1-ium-2-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride Traditional Name: 2,5-dimethoxy-2-[4-(tetrahydrothiophen-1-ium-2-ylmethyl)benzyl]tetrahydrothiophen-1-ium dichloride Formula: C18H28Cl2O2S2 MolecularWeight: 411.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC([SH+]1)(CC2=CC=C(C=C2)CC3CCC[SH+]3)OC.[Cl-].[Cl-]

Isomeric SMILES

COC1CCC([SH+]1)(CC2=CC=C(C=C2)CC3CCC[SH+]3)OC.[Cl-].[Cl-]

InChI

InChI=1S/C18H26O2S2.2ClH/c1-19-17-9-10-18(20-2,22-17)13-15-7-5-14(6-8-15)12-16-4-3-11-21-16;;/h5-8,16-17H,3-4,9-13H2,1-2H3;2*1H