4-(2,4-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(2,4-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 4-(2,4-dimethylphenyl)-N,3-diphenyl-thiazol-3-ium-2-amine bromide CAS Name: 4-(2,4-dimethylphenyl)-N,3-diphenyl-2-thiazol-3-iumamine bromide IUPAC Name: 4-(2,4-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [4-(2,4-dimethylphenyl)-3-phenyl-thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C23H21BrN2S MolecularWeight: 437.39524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=[N+]2C3=CC=CC=C3)NC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=[N+]2C3=CC=CC=C3)NC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C23H20N2S.BrH/c1-17-13-14-21(18(2)15-17)22-16-26-23(24-19-9-5-3-6-10-19)25(22)20-11-7-4-8-12-20;/h3-16H,1-2H3;1H