[2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ethanoate perchlorate

Systemtic Name: [2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ethanoate perchlorate Openeye Name: [2-acetoxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] acetate perchlorate CAS Name: acetic acid [2-acetyloxy-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)propyl] ester perchlorate IUPAC Name: [2-acetyloxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] acetate perchlorate Traditional Name: acetic acid [2-acetoxy-3-(2,4,6-trimethylpyridin-1-ium-1-yl)propyl] ester perchlorate Formula: C15H22ClNO8 MolecularWeight: 379.79008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO4.ClHO4/c1-10-6-11(2)16(12(3)7-10)8-15(20-14(5)18)9-19-13(4)17;2-1(3,4)5/h6-7,15H,8-9H2,1-5H3;(H,2,3,4,5)/q+1;/p-1