2-tert-butyl-4-phenyl-6-pyridin-1-ium-2-yl-pyridine perchlorate

Systemtic Name: 2-tert-butyl-4-phenyl-6-pyridin-1-ium-2-yl-pyridine perchlorate Openeye Name: 2-tert-butyl-4-phenyl-6-pyridin-1-ium-2-yl-pyridine perchlorate CAS Name: 2-tert-butyl-4-phenyl-6-(2-pyridin-1-iumyl)pyridine perchlorate IUPAC Name: 2-tert-butyl-4-phenyl-6-pyridin-1-ium-2-ylpyridine perchlorate Traditional Name: 2-tert-butyl-4-phenyl-6-pyridin-1-ium-2-yl-pyridine perchlorate Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=N1)C2=CC=CC=[NH+]2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=N1)C2=CC=CC=[NH+]2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H20N2.ClHO4/c1-20(2,3)19-14-16(15-9-5-4-6-10-15)13-18(22-19)17-11-7-8-12-21-17;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)