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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(1R)-1-(1-p-anisyltetrazol-5-yl)propyl]piperazin-4-ium Formula: C22H28FN6O+ MolecularWeight: 411.495723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN6O/c1-3-21(28-14-12-27(13-15-28)19-8-6-18(23)7-9-19)22-24-25-26-29(22)16-17-4-10-20(30-2)11-5-17/h4-11,21H,3,12-16H2,1-2H3/p+1/t21-/m1/s1