2-(2,4-dimethyl-6-phenyl-pyridin-1-ium-1-yl)ethyl 2,2-diphenylethanoate perchlorate

Systemtic Name: 2-(2,4-dimethyl-6-phenyl-pyridin-1-ium-1-yl)ethyl 2,2-diphenylethanoate perchlorate Openeye Name: 2-(2,4-dimethyl-6-phenyl-pyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate perchlorate CAS Name: 2,2-diphenylacetic acid 2-(2,4-dimethyl-6-phenyl-1-pyridin-1-iumyl)ethyl ester perchlorate IUPAC Name: 2-(2,4-dimethyl-6-phenylpyridin-1-ium-1-yl)ethyl 2,2-diphenylacetate perchlorate Traditional Name: 2,2-diphenylacetic acid 2-(2,4-dimethyl-6-phenyl-pyridin-1-ium-1-yl)ethyl ester perchlorate Formula: C29H28ClNO6 MolecularWeight: 521.98872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H28NO2.ClHO4/c1-22-20-23(2)30(27(21-22)24-12-6-3-7-13-24)18-19-32-29(31)28(25-14-8-4-9-15-25)26-16-10-5-11-17-26;2-1(3,4)5/h3-17,20-21,28H,18-19H2,1-2H3;(H,2,3,4,5)/q+1;/p-1