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

Systemtic Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]pentyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-thienylmethyl)tetrazol-5-yl]pentyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]pentyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-thenyl)tetrazol-5-yl]pentyl]piperazin-4-ium Formula: C21H28FN6S+ MolecularWeight: 415.550623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCC[C@H](C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN6S/c1-2-3-9-20(21-23-24-25-28(21)16-17-7-6-15-29-17)27-13-11-26(12-14-27)19-10-5-4-8-18(19)22/h4-8,10,15,20H,2-3,9,11-14,16H2,1H3/p+1/t20-/m1/s1