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4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate

4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate

Systemtic Name:4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate
Openeye Name:4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate
CAS Name:4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate
IUPAC Name:4-butoxy-1,2-dimethyl-1,5-diphenyl-3H-pyrazol-1-ium perchlorate
Traditional Name:4-butoxy-1,2-dimethyl-1,5-diphenyl-3-pyrazolin-1-ium perchlorate
Formula: C21H27ClN2O5
MolecularWeight: 422.90248
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O


Isomeric SMILES

CCCCOC1=C([N+](N(C1)C)(C)C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O


InChI

InChI=1S/C21H27N2O.ClHO4/c1-4-5-16-24-20-17-22(2)23(3,19-14-10-7-11-15-19)21(20)18-12-8-6-9-13-18;2-1(3,4)5/h6-15H,4-5,16-17H2,1-3H3;(H,2,3,4,5)/q+1;/p-1


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