(diphenylmethyl) 2-(1-methylpyridin-1-ium-4-yl)ethanoate perchlorate

Systemtic Name: (diphenylmethyl) 2-(1-methylpyridin-1-ium-4-yl)ethanoate perchlorate Openeye Name: benzhydryl 2-(1-methylpyridin-1-ium-4-yl)acetate perchlorate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid (diphenylmethyl) ester perchlorate IUPAC Name: benzhydryl 2-(1-methylpyridin-1-ium-4-yl)acetate perchlorate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid benzhydryl ester perchlorate Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H20NO2.ClHO4/c1-22-14-12-17(13-15-22)16-20(23)24-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19;2-1(3,4)5/h2-15,21H,16H2,1H3;(H,2,3,4,5)/q+1;/p-1