2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate

Systemtic Name: 2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Openeye Name: 2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate CAS Name: 2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate IUPAC Name: 2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Traditional Name: 2,6-dibutyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=[N+]1C2=CC=NN2)CCCC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCC1=CC(=CC(=[N+]1C2=CC=NN2)CCCC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H28N3.ClHO4/c1-3-5-12-20-16-19(18-10-8-7-9-11-18)17-21(13-6-4-2)25(20)22-14-15-23-24-22;2-1(3,4)5/h7-11,14-17H,3-6,12-13H2,1-2H3,(H,23,24);(H,2,3,4,5)/q+1;/p-1