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

Systemtic Name: N-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-N-(4-chlorophenyl)-4-(4-methoxyphenyl)thiazol-3-ium-2-amine bromide CAS Name: N-(4-chlorophenyl)-4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(4-chlorophenyl)-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]-(4-chlorophenyl)amine bromide Formula: C19H18BrClN2OS MolecularWeight: 437.78102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C19H17ClN2OS.BrH/c1-3-12-22-18(14-4-10-17(23-2)11-5-14)13-24-19(22)21-16-8-6-15(20)7-9-16;/h3-11,13H,1,12H2,2H3;1H