1,2-dimethyl-3,5-diphenyl-4-prop-2-ynyl-pyrazol-1-ium; hydron; sulfate

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynyl-pyrazol-1-ium; hydron; sulfate Openeye Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynyl-pyrazol-1-ium; hydron; sulfate CAS Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynylpyrazol-1-ium; hydron; sulfate IUPAC Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynylpyrazol-1-ium; hydron; sulfate Traditional Name: 1,2-dimethyl-3,5-diphenyl-4-propargyl-pyrazol-1-ium; hydron; sulfate Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N2.H2O4S/c1-4-11-18-19(16-12-7-5-8-13-16)21(2)22(3)20(18)17-14-9-6-10-15-17;1-5(2,3)4/h1,5-10,12-15H,11H2,2-3H3;(H2,1,2,3,4)/q+1;/p-1