O-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide

Systemtic Name: O-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide Openeye Name: O-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide CAS Name: N,N-dimethylcarbamothioic acid O-[(1-methyl-3-pyridin-1-iumyl)] ester bromide IUPAC Name: O-(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamothioate bromide Traditional Name: N,N-dimethylthiocarbamic acid O-(1-methylpyridin-1-ium-3-yl) ester bromide Formula: C9H13BrN2OS MolecularWeight: 277.18132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)OC(=S)N(C)C.[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)OC(=S)N(C)C.[Br-]

InChI

InChI=1S/C9H13N2OS.BrH/c1-10(2)9(13)12-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1