4-(4-chlorophenyl)-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-chlorophenyl)-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-4-(4-chlorophenyl)-N-(2,4,6-trimethylphenyl)thiazol-3-ium-2-amine bromide CAS Name: 4-(4-chlorophenyl)-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-chlorophenyl)-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(4-chlorophenyl)thiazol-3-ium-2-yl]-mesityl-amine bromide Formula: C21H22BrClN2S MolecularWeight: 449.83478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)CC=C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Cl)CC=C)C.[Br-]

InChI

InChI=1S/C21H21ClN2S.BrH/c1-5-10-24-19(17-6-8-18(22)9-7-17)13-25-21(24)23-20-15(3)11-14(2)12-16(20)4;/h5-9,11-13H,1,10H2,2-4H3;1H