4-methylbenzenesulfonate; 1,2,3,3-tetramethylindol-1-ium-5-amine

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethylindol-1-ium-5-amine Openeye Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethylindol-1-ium-5-amine CAS Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-indol-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethylindol-1-ium-5-amine Traditional Name: (1,2,3,3-tetramethylindol-1-ium-5-yl)amine tosylate Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2.C7H8O3S/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1