2,3-diethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,3-diethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2,3-diethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2,3-diethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2,3-diethyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2,3-diethyl-1,3-benzothiazol-3-ium tosylate Formula: C18H21NO3S2 MolecularWeight: 363.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2S1)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2S1)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14NS.C7H8O3S/c1-3-11-12(4-2)9-7-5-6-8-10(9)13-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1