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

Systemtic Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate Openeye Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl] hexanedioate CAS Name: hexanedioic acid bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl] ester IUPAC Name: bis[2-[3-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl] hexanedioate Traditional Name: adipic acid bis[2-(4-methyl-3-veratryl-thiazol-3-ium-5-yl)ethyl] ester Formula: C36H46N2O8S2+2 MolecularWeight: 698.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H46N2O8S2/c1-25-33(47-23-37(25)21-27-11-13-29(41-3)31(19-27)43-5)15-17-45-35(39)9-7-8-10-36(40)46-18-16-34-26(2)38(24-48-34)22-28-12-14-30(42-4)32(20-28)44-6/h11-14,19-20,23-24H,7-10,15-18,21-22H2,1-6H3/q+2