3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-(2-methoxyethyl)-2-methyl-1,3-benzothiazol-3-ium tosylate Formula: C18H21NO4S2 MolecularWeight: 379.49364

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C11H14NOS.C7H8O3S/c1-9-12(7-8-13-2)10-5-3-4-6-11(10)14-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1