4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol perchlorate

Systemtic Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol perchlorate Openeye Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol perchlorate CAS Name: 4-[2-(2,4,6-trimethyl-1-pyridin-1-iumyl)ethyl]benzene-1,2-diol perchlorate IUPAC Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]benzene-1,2-diol perchlorate Traditional Name: 4-[2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethyl]pyrocatechol perchlorate Formula: C16H20ClNO6 MolecularWeight: 357.7861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCC2=CC(=C(C=C2)O)O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H19NO2.ClHO4/c1-11-8-12(2)17(13(3)9-11)7-6-14-4-5-15(18)16(19)10-14;2-1(3,4)5/h4-5,8-10H,6-7H2,1-3H3,(H-,18,19);(H,2,3,4,5)