S-[1-(phenylmethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamothioate bromide

Systemtic Name: S-[1-(phenylmethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamothioate bromide Openeye Name: S-(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide CAS Name: N,N-dimethylcarbamothioic acid S-[[1-(phenylmethyl)-3-pyridin-1-iumyl]] ester bromide IUPAC Name: S-(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide Traditional Name: N,N-dimethylthiocarbamic acid S-(1-benzylpyridin-1-ium-3-yl) ester bromide Formula: C15H17BrN2OS MolecularWeight: 353.27728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CN(C)C(=O)SC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H17N2OS.BrH/c1-16(2)15(18)19-14-9-6-10-17(12-14)11-13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1