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

Systemtic Name: 4-phenyl-2,6-dipropyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Openeye Name: 4-phenyl-2,6-dipropyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate CAS Name: 4-phenyl-2,6-dipropyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate IUPAC Name: 4-phenyl-2,6-dipropyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Traditional Name: 4-phenyl-2,6-dipropyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1C2=CC=NN2)CCC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1C2=CC=NN2)CCC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H24N3.ClHO4/c1-3-8-18-14-17(16-10-6-5-7-11-16)15-19(9-4-2)23(18)20-12-13-21-22-20;2-1(3,4)5/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,21,22);(H,2,3,4,5)/q+1;/p-1