4-[(3-bromanylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,4-oxazepan-4-ium bromide

Systemtic Name: 4-[(3-bromanylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,4-oxazepan-4-ium bromide Openeye Name: 4-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,4-oxazepan-4-ium bromide CAS Name: 4-[(3-bromo-2-imidazo[1,2-a]pyridinyl)methylthio]-1,4-oxazepan-4-ium bromide IUPAC Name: 4-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,4-oxazepan-4-ium bromide Traditional Name: 4-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylthio]-1,4-oxazepan-4-ium bromide Formula: C13H17Br2N3OS MolecularWeight: 423.16658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCOC1)SCC2=C(N3C=CC=CC3=N2)Br.[Br-]

Isomeric SMILES

C1C[NH+](CCOC1)SCC2=C(N3C=CC=CC3=N2)Br.[Br-]

InChI

InChI=1S/C13H16BrN3OS.BrH/c14-13-11(15-12-4-1-2-6-17(12)13)10-19-16-5-3-8-18-9-7-16;/h1-2,4,6H,3,5,7-10H2;1H