4-(4-methylphenyl)-3-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-methylphenyl)-3-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-4-(p-tolyl)-N-[3-(trifluoromethyl)phenyl]thiazol-3-ium-2-amine bromide CAS Name: 4-(4-methylphenyl)-3-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-methylphenyl)-3-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(p-tolyl)thiazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]amine bromide Formula: C20H18BrF3N2S MolecularWeight: 455.33453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=CC(=C3)C(F)(F)F.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=CC(=C3)C(F)(F)F.[Br-]

InChI

InChI=1S/C20H17F3N2S.BrH/c1-3-11-25-18(15-9-7-14(2)8-10-15)13-26-19(25)24-17-6-4-5-16(12-17)20(21,22)23;/h3-10,12-13H,1,11H2,2H3;1H