1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-(2-fluorophenyl)-4-[(1-piperonyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C20H22FN6O2+ MolecularWeight: 397.426083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F

InChI

InChI=1S/C20H21FN6O2/c21-16-3-1-2-4-17(16)26-9-7-25(8-10-26)13-20-22-23-24-27(20)12-15-5-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2/p+1