4-butan-2-yloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium perchlorate

Systemtic Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenyl-pyrazol-2-ium perchlorate Openeye Name: 1,2-dimethyl-3,5-diphenyl-4-sec-butoxy-pyrazol-2-ium perchlorate CAS Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium perchlorate IUPAC Name: 4-butan-2-yloxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium perchlorate Traditional Name: 1,2-dimethyl-3,5-diphenyl-4-sec-butoxy-pyrazol-2-ium perchlorate Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC(C)OC1=C(N([N+](=C1C2=CC=CC=C2)C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H25N2O.ClHO4/c1-5-16(2)24-21-19(17-12-8-6-9-13-17)22(3)23(4)20(21)18-14-10-7-11-15-18;2-1(3,4)5/h6-16H,5H2,1-4H3;(H,2,3,4,5)/q+1;/p-1