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

Systemtic Name: 1-[[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium Openeye Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(4-fluorophenyl)-5-tetrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium Formula: C12H16FN6+ MolecularWeight: 263.294043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=NN=NN2C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=NN=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C12H15FN6/c13-10-1-3-11(4-2-10)19-12(15-16-17-19)9-18-7-5-14-6-8-18/h1-4,14H,5-9H2/p+1