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

Systemtic Name: bis[2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate dibromide Openeye Name: bis[2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl] hexanedioate dibromide CAS Name: hexanedioic acid bis[2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl] ester dibromide IUPAC Name: bis[2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate dibromide Traditional Name: adipic acid bis[2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester dibromide Formula: C32H38Br2N2O4S2 MolecularWeight: 738.59312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O4S2.2BrH/c1-25-29(39-23-33(25)21-27-11-5-3-6-12-27)17-19-37-31(35)15-9-10-16-32(36)38-20-18-30-26(2)34(24-40-30)22-28-13-7-4-8-14-28;;/h3-8,11-14,23-24H,9-10,15-22H2,1-2H3;2*1H/q+2;;/p-2