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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazin-1-ium CAS Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(phenylmethyl)-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(1R)-1-(1-benzyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazin-1-ium Formula: C22H28FN6+ MolecularWeight: 395.496323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN6/c1-2-6-21(22-24-25-26-29(22)17-18-7-4-3-5-8-18)28-15-13-27(14-16-28)20-11-9-19(23)10-12-20/h3-5,7-12,21H,2,6,13-17H2,1H3/p+1/t21-/m1/s1