2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-4-(phenylmethyl)-1,3-oxazole perchlorate

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-4-(phenylmethyl)-1,3-oxazole perchlorate Openeye Name: 4-benzyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole perchlorate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-phenyl-4-(phenylmethyl)oxazole perchlorate IUPAC Name: 4-benzyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole perchlorate Traditional Name: 4-benzyl-2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-oxazole perchlorate Formula: C22H19ClN2O5 MolecularWeight: 426.84966

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC(=C(O2)C3=CC=CC=C3)CC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC(=C(O2)C3=CC=CC=C3)CC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H19N2O.ClHO4/c1-24-14-12-19(13-15-24)22-23-20(16-17-8-4-2-5-9-17)21(25-22)18-10-6-3-7-11-18;2-1(3,4)5/h2-15H,16H2,1H3;(H,2,3,4,5)/q+1;/p-1