3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 3-methyl-2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethyl]-1,3-benzothiazol-3-ium; methyl sulfate Formula: C20H24N2O8S4 MolecularWeight: 548.67316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCC3=[N+](C4=CC=CC=C4S3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCC3=[N+](C4=CC=CC=C4S3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C18H18N2S2.2CH4O4S/c1-19-13-7-3-5-9-15(13)21-17(19)11-12-18-20(2)14-8-4-6-10-16(14)22-18;2*1-5-6(2,3)4/h3-10H,11-12H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2