1,2-dimethyl-3,5-diphenyl-4-(phenylmethyl)pyrazol-1-ium; hydron; sulfate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-(phenylmethyl)pyrazol-1-ium; hydron; sulfate Openeye Name: 4-benzyl-1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium; hydron; sulfate CAS Name: 1,2-dimethyl-3,5-diphenyl-4-(phenylmethyl)pyrazol-1-ium; hydron; sulfate IUPAC Name: 4-benzyl-1,2-dimethyl-3,5-diphenylpyrazol-1-ium; hydron; sulfate Traditional Name: 4-benzyl-1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium; hydron; sulfate Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C24H23N2.H2O4S/c1-25-23(20-14-8-4-9-15-20)22(18-19-12-6-3-7-13-19)24(26(25)2)21-16-10-5-11-17-21;1-5(2,3)4/h3-17H,18H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1