4-methylbenzenesulfonate; 1,3,3-trimethylindol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,3,3-trimethylindol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,3,3-trimethylindol-1-ium CAS Name: 4-methylbenzenesulfonate; 1,3,3-trimethylindol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,3,3-trimethylindol-1-ium Traditional Name: 1,3,3-trimethylindol-1-ium tosylate Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C=[N+](C2=CC=CC=C21)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C=[N+](C2=CC=CC=C21)C)C

InChI

InChI=1S/C11H14N.C7H8O3S/c1-11(2)8-12(3)10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1