2-acetamido-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoic acid perchlorate

Systemtic Name: 2-acetamido-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoic acid perchlorate Openeye Name: 2-acetamido-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoic acid perchlorate CAS Name: 2-acetamido-6-(2,4,6-trimethyl-1-pyridin-1-iumyl)hexanoic acid perchlorate IUPAC Name: 2-acetamido-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoic acid perchlorate Traditional Name: 2-acetamido-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoic acid perchlorate Formula: C16H25ClN2O7 MolecularWeight: 392.8319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3.ClHO4/c1-11-9-12(2)18(13(3)10-11)8-6-5-7-15(16(20)21)17-14(4)19;2-1(3,4)5/h9-10,15H,5-8H2,1-4H3,(H-,17,19,20,21);(H,2,3,4,5)