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

Systemtic Name: bis[2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate Openeye Name: bis[2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl] hexanedioate CAS Name: hexanedioic acid bis[2-(3-ethyl-4-methyl-5-thiazol-3-iumyl)ethyl] ester IUPAC Name: bis[2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] hexanedioate Traditional Name: adipic acid bis[2-(3-ethyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester Formula: C22H34N2O4S2+2 MolecularWeight: 454.64636

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CSC(=C1C)CCOC(=O)CCCCC(=O)OCCC2=C([N+](=CS2)CC)C

Isomeric SMILES

CC[N+]1=CSC(=C1C)CCOC(=O)CCCCC(=O)OCCC2=C([N+](=CS2)CC)C

InChI

InChI=1S/C22H34N2O4S2/c1-5-23-15-29-19(17(23)3)11-13-27-21(25)9-7-8-10-22(26)28-14-12-20-18(4)24(6-2)16-30-20/h15-16H,5-14H2,1-4H3/q+2