N,3-dimethyl-N-phenyl-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate

Systemtic Name: N,3-dimethyl-N-phenyl-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Openeye Name: N,3-dimethyl-N-phenyl-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate CAS Name: N,3-dimethyl-N-phenyl-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate IUPAC Name: N,3-dimethyl-N-phenyl-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Traditional Name: methyl-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-phenyl-amine tosylate Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)N(C)C3=CC=CC=C3

InChI

InChI=1S/C15H15N2S.C7H8O3S/c1-16(12-8-4-3-5-9-12)15-17(2)13-10-6-7-11-14(13)18-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1