propyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate perchlorate

Systemtic Name: propyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate perchlorate Openeye Name: propyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate perchlorate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid propyl ester perchlorate IUPAC Name: propyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate perchlorate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid propyl ester perchlorate Formula: C33H28ClNO6 MolecularWeight: 570.03152

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H28NO2.ClHO4/c1-2-22-36-33(35)28-18-20-30(21-19-28)34-31(26-14-8-4-9-15-26)23-29(25-12-6-3-7-13-25)24-32(34)27-16-10-5-11-17-27;2-1(3,4)5/h3-21,23-24H,2,22H2,1H3;(H,2,3,4,5)/q+1;/p-1