2-[4-(Dimethylamino)Phenyl]-3,6-Dimethylbenzothiazolium Benzoate
[CAS# 68310-89-4]

Identification

• Name: 2-[4-(Dimethylamino)Phenyl]-3,6-Dimethylbenzothiazolium Benzoate
• Synonyms: 4-(3,6-Dimethyl-1,3-Benzothiazol-3-Ium-2-Yl)-N,N-Dimethyl-Aniline Benzoate; [4-(3,6-Dimethyl-1,3-Benzothiazol-3-Ium-2-Yl)Phenyl]-Dimethyl-Amine Benzoate; 2-(4-(Dimethylamino)Phenyl)-3,6-Dimethylbenzothiazolium Benzoate
• Molecular Formula: C₂₄H₂₄N₂O₂S
• Molecular Weight: 404.53
• CAS Registry Number: 68310-89-4
• EINECS: 269-743-8
• SMILES: C1=C(C=CC2=C1SC(=[N+]2C)C3=CC=C(N(C)C)C=C3)C.C4=C(C([O-])=O)C=CC=C4
• InChI: 1S/C17H19N2S.C7H6O2/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;8-7(9)6-4-2-1-3-5-6/h5-11H,1-4H3;1-5H,(H,8,9)/q+1;/p-1
• InChIKey: YLNRZMQISIVORD-UHFFFAOYSA-M