4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-4-(4-bromophenyl)-N-(4-ethoxyphenyl)thiazol-3-ium-2-amine bromide CAS Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-(4-bromophenyl)thiazol-3-ium-2-yl]-p-phenetyl-amine bromide Formula: C20H20Br2N2OS MolecularWeight: 496.2586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CC=C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CC=C.[Br-]

InChI

InChI=1S/C20H19BrN2OS.BrH/c1-3-13-23-19(15-5-7-16(21)8-6-15)14-25-20(23)22-17-9-11-18(12-10-17)24-4-2;/h3,5-12,14H,1,4,13H2,2H3;1H