1-(phenylmethyl)pyridin-1-ium-3-carbonitrile; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carbonitrile; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: 1-benzylpyridin-1-ium-3-carbonitrile; trihydroxy(oxo)-$l^{5}-chlorane CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarbonitrile; trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: 1-benzylpyridin-1-ium-3-carbonitrile; trihydroxy(oxo)-$l^{5}-chlorane Traditional Name: 1-benzylpyridin-1-ium-3-carbonitrile; trihydroxy(keto)-$l^{5}-chlorane Formula: C13H14ClN2O4+ MolecularWeight: 297.71426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N2.ClH3O4/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;(H3,2,3,4,5)/q+1;