(4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate perchlorate

Systemtic Name: (4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate perchlorate Openeye Name: p-tolylmethyl 2-(1-methylpyridin-1-ium-4-yl)acetate perchlorate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (4-methylphenyl)methyl ester perchlorate IUPAC Name: (4-methylphenyl)methyl 2-(1-methylpyridin-1-ium-4-yl)acetate perchlorate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid (4-methylbenzyl) ester perchlorate Formula: C16H18ClNO6 MolecularWeight: 355.77022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)CC2=CC=[N+](C=C2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)CC2=CC=[N+](C=C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H18NO2.ClHO4/c1-13-3-5-15(6-4-13)12-19-16(18)11-14-7-9-17(2)10-8-14;2-1(3,4)5/h3-10H,11-12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1