but-2-ynyl-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: but-2-ynyl-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-(furan-2-ylmethyl)azanium Openeye Name: but-2-ynyl-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-(2-furylmethyl)ammonium CAS Name: but-2-ynyl-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-furanylmethyl)ammonium IUPAC Name: but-2-ynyl-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-(furan-2-ylmethyl)azanium Traditional Name: but-2-ynyl-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-(2-furfuryl)ammonium Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[NH+](CC1=CC=CO1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC#CC[NH+](CC1=CC=CO1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C20H20FN3O2/c1-3-4-9-24(14-17-6-5-10-26-17)13-15-12-22-23-20(15)18-8-7-16(25-2)11-19(18)21/h5-8,10-12H,9,13-14H2,1-2H3,(H,22,23)/p+1