(1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate perchlorate

Systemtic Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate perchlorate Openeye Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate perchlorate CAS Name: benzoic acid (1-methyl-2,3-dihydropyridin-1-ium-4-yl) ester perchlorate IUPAC Name: (1-methyl-2,3-dihydropyridin-1-ium-4-yl) benzoate perchlorate Traditional Name: benzoic acid (1-methyl-2,3-dihydropyridin-1-ium-4-yl) ester perchlorate Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(CC1)OC(=O)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(CC1)OC(=O)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H14NO2.ClHO4/c1-14-9-7-12(8-10-14)16-13(15)11-5-3-2-4-6-11;2-1(3,4)5/h2-7,9H,8,10H2,1H3;(H,2,3,4,5)/q+1;/p-1