2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]propyl]-methyl-azanium chloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithian-2-yl]propyl]-methyl-azanium chloride Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]propyl]-methyl-ammonium chloride CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]propyl]-methylammonium chloride IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraoxo-1,3-dithian-2-yl]propyl]-methylazanium chloride Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-1,1,3,3-tetraketo-1,3-dithian-2-yl]propyl-homoveratryl-methyl-ammonium chloride Formula: C26H38ClNO8S2 MolecularWeight: 592.16482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC1(S(=O)(=O)CCCS1(=O)=O)C2=CC(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

C[NH+](CCCC1(S(=O)(=O)CCCS1(=O)=O)C2=CC(=C(C=C2)OC)OC)CCC3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C26H37NO8S2.ClH/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5;/h8-11,18-19H,6-7,12-17H2,1-5H3;1H