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

Systemtic Name: 1-[[2-butoxy-5-methoxy-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium chloride Openeye Name: 1-[[2-butoxy-5-methoxy-4-(tetrahydrothiophen-1-ium-1-ylmethyl)phenyl]methyl]tetrahydrothiophen-1-ium chloride CAS Name: 1-[[2-butoxy-5-methoxy-4-(1-thiolan-1-iumylmethyl)phenyl]methyl]thiolan-1-ium chloride IUPAC Name: 1-[[2-butoxy-5-methoxy-4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium chloride Traditional Name: 1-[2-butoxy-5-methoxy-4-(tetrahydrothiophen-1-ium-1-ylmethyl)benzyl]tetrahydrothiophen-1-ium chloride Formula: C21H34ClO2S2+ MolecularWeight: 418.07646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1C[S+]2CCCC2)OC)C[S+]3CCCC3.[Cl-]

Isomeric SMILES

CCCCOC1=CC(=C(C=C1C[S+]2CCCC2)OC)C[S+]3CCCC3.[Cl-]

InChI

InChI=1S/C21H34O2S2.ClH/c1-3-4-9-23-21-15-18(16-24-10-5-6-11-24)20(22-2)14-19(21)17-25-12-7-8-13-25;/h14-15H,3-13,16-17H2,1-2H3;1H/q+2;/p-1