1,2-dimethyl-3,5-diphenyl-4-prop-2-ynoxy-pyrazol-2-ium chloride

Systemtic Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynoxy-pyrazol-2-ium chloride Openeye Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynoxy-pyrazol-2-ium chloride CAS Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynoxypyrazol-2-ium chloride IUPAC Name: 1,2-dimethyl-3,5-diphenyl-4-prop-2-ynoxypyrazol-2-ium chloride Traditional Name: 1,2-dimethyl-3,5-diphenyl-4-propargyloxy-pyrazol-2-ium chloride Formula: C20H19ClN2O MolecularWeight: 338.83066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC#C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)OCC#C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H19N2O.ClH/c1-4-15-23-20-18(16-11-7-5-8-12-16)21(2)22(3)19(20)17-13-9-6-10-14-17;/h1,5-14H,15H2,2-3H3;1H/q+1;/p-1