1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbaldehyde bromide

Systemtic Name: 1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbaldehyde bromide Openeye Name: 2-benzylsulfanyl-1-methyl-pyridin-1-ium-3-carbaldehyde bromide CAS Name: 1-methyl-2-(phenylmethylthio)-3-pyridin-1-iumcarboxaldehyde bromide IUPAC Name: 2-benzylsulfanyl-1-methylpyridin-1-ium-3-carbaldehyde bromide Traditional Name: 2-(benzylthio)-1-methyl-pyridin-1-ium-3-carbaldehyde bromide Formula: C14H14BrNOS MolecularWeight: 324.23606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)C=O.[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)C=O.[Br-]

InChI

InChI=1S/C14H14NOS.BrH/c1-15-9-5-8-13(10-16)14(15)17-11-12-6-3-2-4-7-12;/h2-10H,11H2,1H3;1H/q+1;/p-1