[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-prop-2-ynyl-azanium

Systemtic Name: [5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-prop-2-ynyl-azanium Openeye Name: [5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(2-furylmethyl)-prop-2-ynyl-ammonium CAS Name: [5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(2-furanylmethyl)-prop-2-ynylammonium IUPAC Name: [5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-prop-2-ynylazanium Traditional Name: [5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl-(2-furfuryl)-propargyl-ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+](CC#C)CC3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+](CC#C)CC3=CC=CO3)OC

InChI

InChI=1S/C20H21N3O3/c1-4-9-23(14-17-6-5-10-26-17)13-15-12-21-22-20(15)18-8-7-16(24-2)11-19(18)25-3/h1,5-8,10-12H,9,13-14H2,2-3H3,(H,21,22)/p+1