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

Systemtic Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine Openeye Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine CAS Name: 1-[[(2-bromophenyl)thio]methyl]-2-pyridin-1-iumamine IUPAC Name: 1-[(2-bromophenyl)sulfanylmethyl]pyridin-1-ium-2-amine Traditional Name: [1-[[(2-bromophenyl)thio]methyl]pyridin-1-ium-2-yl]amine Formula: C12H12BrN2S+ MolecularWeight: 296.20608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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