N,N-dimethylcarbamothioate; 1-(phenylmethyl)pyridin-1-ium-3-thiol; bromide

Systemtic Name: N,N-dimethylcarbamothioate; 1-(phenylmethyl)pyridin-1-ium-3-thiol; bromide Openeye Name: 1-benzylpyridin-1-ium-3-thiol; N,N-dimethylcarbamothioate; bromide CAS Name: N,N-dimethylcarbamothioate; 1-(phenylmethyl)-3-pyridin-1-iumthiol; bromide IUPAC Name: 1-benzylpyridin-1-ium-3-thiol; N,N-dimethylcarbamothioate; bromide Traditional Name: 1-benzylpyridin-1-ium-3-thiol; N,N-dimethylthiocarbamate; bromide Formula: C15H18BrN2OS2- MolecularWeight: 386.35022

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)[O-].C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S.[Br-]

Isomeric SMILES

CN(C)C(=S)[O-].C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S.[Br-]

InChI

InChI=1S/C12H11NS.C3H7NOS.BrH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-4(2)3(5)6;/h1-8,10H,9H2;1-2H3,(H,5,6);1H/p-1