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

Systemtic Name: 2,6-diethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Openeye Name: 2,6-diethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate CAS Name: 2,6-diethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate IUPAC Name: 2,6-diethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Traditional Name: 2,6-diethyl-4-phenyl-1-(1H-pyrazol-5-yl)pyridin-1-ium perchlorate Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1C2=CC=NN2)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=CC(=[N+]1C2=CC=NN2)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H20N3.ClHO4/c1-3-16-12-15(14-8-6-5-7-9-14)13-17(4-2)21(16)18-10-11-19-20-18;2-1(3,4)5/h5-13H,3-4H2,1-2H3,(H,19,20);(H,2,3,4,5)/q+1;/p-1