methyl 2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate perchlorate

Systemtic Name: methyl 2-oxidanyl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate perchlorate Openeye Name: methyl 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate perchlorate CAS Name: 2-hydroxy-4-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzoic acid methyl ester perchlorate IUPAC Name: methyl 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoate perchlorate Traditional Name: 2-hydroxy-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzoic acid methyl ester perchlorate Formula: C16H18ClNO7 MolecularWeight: 371.76962

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)OC)O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3.ClHO4/c1-10-7-11(2)17(12(3)8-10)13-5-6-14(15(18)9-13)16(19)20-4;2-1(3,4)5/h5-9H,1-4H3;(H,2,3,4,5)