1,3-benzodioxol-5-ylmethyl-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: [1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C25H23FN3O3+ MolecularWeight: 432.466823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

InChI

InChI=1S/C25H22FN3O3/c1-30-20-9-7-18(8-10-20)25-19(15-29(28-25)22-5-3-2-4-21(22)26)14-27-13-17-6-11-23-24(12-17)32-16-31-23/h2-12,15,27H,13-14,16H2,1H3/p+1