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

Systemtic Name: bis[2-[4-methyl-3-(phenylmethyl)-1,3-thiazol-3-ium-5-yl]ethyl] butanedioate dichloride Openeye Name: bis[2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl] butanedioate dichloride CAS Name: butanedioic acid bis[2-[4-methyl-3-(phenylmethyl)-5-thiazol-3-iumyl]ethyl] ester dichloride IUPAC Name: bis[2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl] butanedioate dichloride Traditional Name: succinic acid bis[2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethyl] ester dichloride Formula: C30H34Cl2N2O4S2 MolecularWeight: 621.63796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O4S2.2ClH/c1-23-27(37-21-31(23)19-25-9-5-3-6-10-25)15-17-35-29(33)13-14-30(34)36-18-16-28-24(2)32(22-38-28)20-26-11-7-4-8-12-26;;/h3-12,21-22H,13-20H2,1-2H3;2*1H/q+2;;/p-2