3-hexyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 3-hexyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-hexyl-4-(4-methoxyphenyl)-N-phenyl-thiazol-3-ium-2-amine bromide CAS Name: 3-hexyl-4-(4-methoxyphenyl)-N-phenyl-2-thiazol-3-iumamine bromide IUPAC Name: 3-hexyl-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-hexyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)OC)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)OC)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H26N2OS.BrH/c1-3-4-5-9-16-24-21(18-12-14-20(25-2)15-13-18)17-26-22(24)23-19-10-7-6-8-11-19;/h6-8,10-15,17H,3-5,9,16H2,1-2H3;1H