N,N-dimethylcarbamate; 1-methylpyridin-1-ium-3-thiol; bromide

Systemtic Name: N,N-dimethylcarbamate; 1-methylpyridin-1-ium-3-thiol; bromide Openeye Name: N,N-dimethylcarbamate; 1-methylpyridin-1-ium-3-thiol; bromide CAS Name: N,N-dimethylcarbamate; 1-methyl-3-pyridin-1-iumthiol; bromide IUPAC Name: N,N-dimethylcarbamate; 1-methylpyridin-1-ium-3-thiol; bromide Traditional Name: N,N-dimethylcarbamate; 1-methylpyridin-1-ium-3-thiol; bromide Formula: C9H14BrN2O2S- MolecularWeight: 294.18866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7NS.C3H7NO2.BrH/c1-7-4-2-3-6(8)5-7;1-4(2)3(5)6;/h2-5H,1H3;1-2H3,(H,5,6);1H/p-1