1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium perchlorate

Systemtic Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium perchlorate Openeye Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenyl-pyrazol-2-ium perchlorate CAS Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenylpyrazol-2-ium perchlorate IUPAC Name: 1,2-dimethyl-3-(3-pentoxyphenyl)-5-phenylpyrazol-2-ium perchlorate Traditional Name: 3-(3-amoxyphenyl)-1,2-dimethyl-5-phenyl-pyrazol-2-ium perchlorate Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2=[N+](N(C(=C2)C3=CC=CC=C3)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H27N2O.ClHO4/c1-4-5-9-15-25-20-14-10-13-19(16-20)22-17-21(23(2)24(22)3)18-11-7-6-8-12-18;2-1(3,4)5/h6-8,10-14,16-17H,4-5,9,15H2,1-3H3;(H,2,3,4,5)/q+1;/p-1