1-[(2-bromanyl-4-chloranyl-phenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride Openeye Name: 1-[(2-bromo-4-chloro-phenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride CAS Name: 1-[[(2-bromo-4-chlorophenyl)thio]methyl]-2-pyridin-1-iumamine chloride IUPAC Name: 1-[(2-bromo-4-chlorophenyl)sulfanylmethyl]pyridin-1-ium-2-amine chloride Traditional Name: [1-[[(2-bromo-4-chloro-phenyl)thio]methyl]pyridin-1-ium-2-yl]amine chloride Formula: C12H11BrCl2N2S MolecularWeight: 366.10414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)N)CSC2=C(C=C(C=C2)Cl)Br.[Cl-]

Isomeric SMILES

C1=CC=[N+](C(=C1)N)CSC2=C(C=C(C=C2)Cl)Br.[Cl-]

InChI

InChI=1S/C12H10BrClN2S.ClH/c13-10-7-9(14)4-5-11(10)17-8-16-6-2-1-3-12(16)15;/h1-7,15H,8H2;1H