1-(2-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-furylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-furanylmethyl)-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-furfuryl)tetrazol-5-yl]butyl]piperazin-4-ium Formula: C20H26FN6O+ MolecularWeight: 385.458443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCC[C@H](C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C20H25FN6O/c1-2-6-19(20-22-23-24-27(20)15-16-7-5-14-28-16)26-12-10-25(11-13-26)18-9-4-3-8-17(18)21/h3-5,7-9,14,19H,2,6,10-13,15H2,1H3/p+1/t19-/m1/s1