methyl 2-[2-(6-methoxycarbonyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylate

Systemtic Name: methyl 2-[2-(6-methoxycarbonyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylate Openeye Name: methyl 2-[2-(6-methoxycarbonyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylate CAS Name: 2-[2-(6-methoxycarbonyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(6-methoxycarbonyl-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylate Traditional Name: 2-[2-(6-carbomethoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-methyl-1,3-benzothiazol-3-ium-6-carboxylic acid methyl ester Formula: C22H22N2O4S2+2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=CC(=C2)C(=O)OC)CCC3=[N+](C4=C(S3)C=C(C=C4)C(=O)OC)C

Isomeric SMILES

C[N+]1=C(SC2=C1C=CC(=C2)C(=O)OC)CCC3=[N+](C4=C(S3)C=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C22H22N2O4S2/c1-23-15-7-5-13(21(25)27-3)11-17(15)29-19(23)9-10-20-24(2)16-8-6-14(22(26)28-4)12-18(16)30-20/h5-8,11-12H,9-10H2,1-4H3/q+2