1-phenethylpyridin-1-ium; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: 1-phenethylpyridin-1-ium; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: 1-phenethylpyridin-1-ium; trihydroxy(oxo)-$l^{5}-chlorane CAS Name: 1-phenethylpyridin-1-ium; trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: 1-phenethylpyridin-1-ium; trihydroxy(oxo)-$l^{5}-chlorane Traditional Name: 1-phenethylpyridin-1-ium; trihydroxy(keto)-$l^{5}-chlorane Formula: C13H17ClNO4+ MolecularWeight: 286.73138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N.ClH3O4/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;2-1(3,4)5/h1-8,10-11H,9,12H2;(H3,2,3,4,5)/q+1;