bis[2-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] pentanedioate dibromide

Systemtic Name: bis[2-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] pentanedioate dibromide Openeye Name: bis[2-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]thiazol-3-ium-5-yl]ethyl] pentanedioate dibromide CAS Name: pentanedioic acid bis[2-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-5-thiazol-3-iumyl]ethyl] ester dibromide IUPAC Name: bis[2-[4-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-3-ium-5-yl]ethyl] pentanedioate dibromide Traditional Name: glutaric acid bis[2-[4-methyl-3-(3,4,5-trimethoxybenzyl)thiazol-3-ium-5-yl]ethyl] ester dibromide Formula: C37H48Br2N2O10S2 MolecularWeight: 904.72242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC(=C(C(=C2)OC)OC)OC)CCOC(=O)CCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C(=C4)OC)OC)OC)C.[Br-].[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC(=C(C(=C2)OC)OC)OC)CCOC(=O)CCCC(=O)OCCC3=C([N+](=CS3)CC4=CC(=C(C(=C4)OC)OC)OC)C.[Br-].[Br-]

InChI

InChI=1S/C37H48N2O10S2.2BrH/c1-24-32(50-22-38(24)20-26-16-28(42-3)36(46-7)29(17-26)43-4)12-14-48-34(40)10-9-11-35(41)49-15-13-33-25(2)39(23-51-33)21-27-18-30(44-5)37(47-8)31(19-27)45-6;;/h16-19,22-23H,9-15,20-21H2,1-8H3;2*1H/q+2;;/p-2