1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium bromide Openeye Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium bromide CAS Name: 1-methyl-2-(4-phenylbutylthio)pyridin-1-ium bromide IUPAC Name: 1-methyl-2-(4-phenylbutylsulfanyl)pyridin-1-ium bromide Traditional Name: 1-methyl-2-(4-phenylbutylthio)pyridin-1-ium bromide Formula: C16H20BrNS MolecularWeight: 338.3057

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCCCCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCCCCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H20NS.BrH/c1-17-13-7-5-12-16(17)18-14-8-6-11-15-9-3-2-4-10-15;/h2-5,7,9-10,12-13H,6,8,11,14H2,1H3;1H/q+1;/p-1