1-(phenylmethyl)pyridin-1-ium-3-carbonitrile perchlorate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carbonitrile perchlorate Openeye Name: 1-benzylpyridin-1-ium-3-carbonitrile perchlorate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarbonitrile perchlorate IUPAC Name: 1-benzylpyridin-1-ium-3-carbonitrile perchlorate Traditional Name: 1-benzylpyridin-1-ium-3-carbonitrile perchlorate Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N2.ClHO4/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12;2-1(3,4)5/h1-8,11H,10H2;(H,2,3,4,5)/q+1;/p-1