1-dibenzo-p-dioxin-2-yl-2,4,6-trimethyl-pyridin-1-ium perchlorate

Systemtic Name: 1-dibenzo-p-dioxin-2-yl-2,4,6-trimethyl-pyridin-1-ium perchlorate Openeye Name: 1-dibenzo-p-dioxin-2-yl-2,4,6-trimethyl-pyridin-1-ium perchlorate CAS Name: 1-(2-dibenzo-p-dioxinyl)-2,4,6-trimethylpyridin-1-ium perchlorate IUPAC Name: 1-dibenzo-p-dioxin-2-yl-2,4,6-trimethylpyridin-1-ium perchlorate Traditional Name: 1-dibenzo-p-dioxin-2-yl-2,4,6-trimethyl-pyridin-1-ium perchlorate Formula: C20H18ClNO6 MolecularWeight: 403.81302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC3=C(C=C2)OC4=CC=CC=C4O3)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC3=C(C=C2)OC4=CC=CC=C4O3)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H18NO2.ClHO4/c1-13-10-14(2)21(15(3)11-13)16-8-9-19-20(12-16)23-18-7-5-4-6-17(18)22-19;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1