2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid perchlorate

Systemtic Name: 2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid perchlorate Openeye Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid perchlorate CAS Name: 2-hydroxy-4-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzoic acid perchlorate IUPAC Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid perchlorate Traditional Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid perchlorate Formula: C15H16ClNO7 MolecularWeight: 357.74304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3.ClHO4/c1-9-6-10(2)16(11(3)7-9)12-4-5-13(15(18)19)14(17)8-12;2-1(3,4)5/h4-8H,1-3H3,(H-,17,18,19);(H,2,3,4,5)