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

Systemtic Name: N-(4-chlorophenyl)-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-(4-chlorophenyl)-5-methyl-4-phenyl-thiazol-3-ium-2-amine bromide CAS Name: N-(4-chlorophenyl)-5-methyl-4-phenyl-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(4-chlorophenyl)-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: (3-allyl-5-methyl-4-phenyl-thiazol-3-ium-2-yl)-(4-chlorophenyl)amine bromide Formula: C19H18BrClN2S MolecularWeight: 421.78162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(S1)NC2=CC=C(C=C2)Cl)CC=C)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=C([N+](=C(S1)NC2=CC=C(C=C2)Cl)CC=C)C3=CC=CC=C3.[Br-]

InChI

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