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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-4-ium Traditional Name: 1-[(1R)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]butyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C22H27F2N6+ MolecularWeight: 413.486786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC[C@H](C1=NN=NN1CC2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26F2N6/c1-2-3-21(22-25-26-27-30(22)16-17-4-6-18(23)7-5-17)29-14-12-28(13-15-29)20-10-8-19(24)9-11-20/h4-11,21H,2-3,12-16H2,1H3/p+1/t21-/m1/s1