4-(4-chlorophenyl)-5-methyl-3-phenyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide

Systemtic Name: 4-(4-chlorophenyl)-5-methyl-3-phenyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: N-allyl-4-(4-chlorophenyl)-5-methyl-3-phenyl-3H-thiazol-3-ium-2-imine bromide CAS Name: 4-(4-chlorophenyl)-5-methyl-3-phenyl-N-prop-2-enyl-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 4-(4-chlorophenyl)-5-methyl-3-phenyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: allyl-[4-(4-chlorophenyl)-5-methyl-3-phenyl-4-thiazolin-3-ium-2-ylidene]amine bromide Formula: C19H18BrClN2S MolecularWeight: 421.78162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](C(=NCC=C)S1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=C([NH+](C(=NCC=C)S1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H17ClN2S.BrH/c1-3-13-21-19-22(17-7-5-4-6-8-17)18(14(2)23-19)15-9-11-16(20)12-10-15;/h3-12H,1,13H2,2H3;1H