1-ethyl-4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[[1-(2-furylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[[1-(2-furfuryl)tetrazol-5-yl]methyl]piperazine-1,4-diium Formula: C13H22N6O+2 MolecularWeight: 278.35338

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NN=NN2CC3=CC=CO3

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NN=NN2CC3=CC=CO3

InChI

InChI=1S/C13H20N6O/c1-2-17-5-7-18(8-6-17)11-13-14-15-16-19(13)10-12-4-3-9-20-12/h3-4,9H,2,5-8,10-11H2,1H3/p+2