1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride

Systemtic Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride Openeye Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride CAS Name: 1-[[(2-bromophenyl)thio]methyl]-2-pyridin-1-iumamine chloride IUPAC Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride Traditional Name: [1-[[(2-bromophenyl)thio]methyl]pyridin-1-ium-2-yl]amine chloride Formula: C12H12BrClN2S MolecularWeight: 331.65908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SC[N+]2=CC=CC=C2N)Br.[Cl-]

Isomeric SMILES

C1=CC=C(C(=C1)SC[N+]2=CC=CC=C2N)Br.[Cl-]

InChI

InChI=1S/C12H11BrN2S.ClH/c13-10-5-1-2-6-11(10)16-9-15-8-4-3-7-12(15)14;/h1-8,14H,9H2;1H