1-(phenylmethyl)pyridin-1-ium thiocyanate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium thiocyanate Openeye Name: 1-benzylpyridin-1-ium thiocyanate CAS Name: 1-(phenylmethyl)pyridin-1-ium thiocyanate IUPAC Name: 1-benzylpyridin-1-ium thiocyanate Traditional Name: 1-benzylpyridin-1-ium thiocyanate Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC=C2.C(#N)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2.C(#N)[S-]

InChI

InChI=1S/C12H12N.CHNS/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1-3/h1-10H,11H2;3H/q+1;/p-1