3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-[1-[1-(1-methoxyethoxy)ethoxy]ethyl]-2-methyl-1,3-benzothiazol-3-ium tosylate Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2S1)C(C)OC(C)OC(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2S1)C(C)OC(C)OC(C)OC

InChI

InChI=1S/C15H22NO3S.C7H8O3S/c1-10(18-13(4)19-12(3)17-5)16-11(2)20-15-9-7-6-8-14(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h6-10,12-13H,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1