4-(3-oxidanyl-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzenecarbonitrile bromide

Systemtic Name: 4-(3-oxidanyl-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzenecarbonitrile bromide Openeye Name: 4-(3-hydroxy-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzonitrile bromide CAS Name: 4-(3-hydroxy-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzonitrile bromide IUPAC Name: 4-(3-hydroxy-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzonitrile bromide Traditional Name: 4-(3-hydroxy-1-phenyl-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-yl)benzonitrile bromide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(N(CC2(C3=CC=C(C=C3)C#N)O)C4=CC=CC=C4)SC1.[Br-]

Isomeric SMILES

C1C[N+]2=C(N(CC2(C3=CC=C(C=C3)C#N)O)C4=CC=CC=C4)SC1.[Br-]

InChI

InChI=1S/C19H18N3OS.BrH/c20-13-15-7-9-16(10-8-15)19(23)14-21(17-5-2-1-3-6-17)18-22(19)11-4-12-24-18;/h1-3,5-10,23H,4,11-12,14H2;1H/q+1;/p-1