3-phenyl-2H-1,4-benzothiazin-4-ium bromide

Systemtic Name: 3-phenyl-2H-1,4-benzothiazin-4-ium bromide Openeye Name: 3-phenyl-2H-1,4-benzothiazin-4-ium bromide CAS Name: 3-phenyl-2H-1,4-benzothiazin-4-ium bromide IUPAC Name: 3-phenyl-2H-1,4-benzothiazin-4-ium bromide Traditional Name: 3-phenyl-2H-1,4-benzothiazin-4-ium bromide Formula: C14H12BrNS MolecularWeight: 306.22078

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=[NH+]C2=CC=CC=C2S1)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C(=[NH+]C2=CC=CC=C2S1)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H11NS.BrH/c1-2-6-11(7-3-1)13-10-16-14-9-5-4-8-12(14)15-13;/h1-9H,10H2;1H