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

Systemtic Name: N-(4-chlorophenyl)-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-(4-chlorophenyl)-4-(p-tolyl)thiazol-3-ium-2-amine bromide CAS Name: N-(4-chlorophenyl)-4-(4-methylphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(4-chlorophenyl)-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(p-tolyl)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=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

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

InChI

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