N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)thiazol-3-ium-2-amine bromide CAS Name: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]-(2,3-dimethylphenyl)amine bromide Formula: C21H23BrN2OS MolecularWeight: 431.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS.BrH/c1-5-13-23-20(17-9-11-18(24-4)12-10-17)14-25-21(23)22-19-8-6-7-15(2)16(19)3;/h5-12,14H,1,13H2,2-4H3;1H