1-butyl-2-tert-butyl-4-phenyl-6-pyridin-3-yl-pyridin-1-ium perchlorate

Systemtic Name: 1-butyl-2-tert-butyl-4-phenyl-6-pyridin-3-yl-pyridin-1-ium perchlorate Openeye Name: 1-butyl-2-tert-butyl-4-phenyl-6-(3-pyridyl)pyridin-1-ium perchlorate CAS Name: 1-butyl-2-tert-butyl-4-phenyl-6-(3-pyridinyl)pyridin-1-ium perchlorate IUPAC Name: 1-butyl-2-tert-butyl-4-phenyl-6-pyridin-3-ylpyridin-1-ium perchlorate Traditional Name: 1-butyl-2-tert-butyl-4-phenyl-6-(3-pyridyl)pyridin-1-ium perchlorate Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C(C)(C)C)C2=CC=CC=C2)C3=CN=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C(C)(C)C)C2=CC=CC=C2)C3=CN=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H29N2.ClHO4/c1-5-6-15-26-22(20-13-10-14-25-18-20)16-21(17-23(26)24(2,3)4)19-11-8-7-9-12-19;2-1(3,4)5/h7-14,16-18H,5-6,15H2,1-4H3;(H,2,3,4,5)/q+1;/p-1