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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN6O/c1-16(2)21(22-24-25-26-29(22)15-17-3-5-18(23)6-4-17)28-13-11-27(12-14-28)19-7-9-20(30)10-8-19/h3-10,16,21,30H,11-15H2,1-2H3/p+1/t21-/m1/s1