1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide

Systemtic Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Openeye Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide CAS Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide IUPAC Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone bromide Traditional Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone bromide Formula: C14H17BrNOS- MolecularWeight: 327.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)SCC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CCC(=NCC1)SCC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H17NOS.BrH/c16-13(12-7-3-1-4-8-12)11-17-14-9-5-2-6-10-15-14;/h1,3-4,7-8H,2,5-6,9-11H2;1H/p-1