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

Systemtic Name: 4-(4-methoxyphenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-4-(4-methoxyphenyl)-N-(p-tolyl)thiazol-3-ium-2-amine bromide CAS Name: 4-(4-methoxyphenyl)-N-(4-methylphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-methoxyphenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]-(p-tolyl)amine bromide Formula: C20H21BrN2OS MolecularWeight: 417.36254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)OC)CC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)OC)CC=C.[Br-]

InChI

InChI=1S/C20H20N2OS.BrH/c1-4-13-22-19(16-7-11-18(23-3)12-8-16)14-24-20(22)21-17-9-5-15(2)6-10-17;/h4-12,14H,1,13H2,2-3H3;1H