7-(4-ethoxyphenyl)-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide

Systemtic Name: 7-(4-ethoxyphenyl)-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide Openeye Name: 7-(4-ethoxyphenyl)-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide CAS Name: 7-(4-ethoxyphenyl)-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide IUPAC Name: 7-(4-ethoxyphenyl)-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide Traditional Name: 7-p-phenetyl-2,3-dihydropyrrolo[2,3-b][1,4]thiazin-5-ium bromide Formula: C14H15BrN2OS MolecularWeight: 339.2507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C[NH+]=C3C2=NCCS3.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C[NH+]=C3C2=NCCS3.[Br-]

InChI

InChI=1S/C14H14N2OS.BrH/c1-2-17-11-5-3-10(4-6-11)12-9-16-14-13(12)15-7-8-18-14;/h3-6,9H,2,7-8H2,1H3;1H