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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-2-methyl-propyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-propyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-2-methylpropyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(1R)-2-methyl-1-(1-p-anisyltetrazol-5-yl)propyl]piperazin-4-ium Formula: C23H30FN6O+ MolecularWeight: 425.522303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN6O/c1-17(2)22(29-14-12-28(13-15-29)20-8-6-19(24)7-9-20)23-25-26-27-30(23)16-18-4-10-21(31-3)11-5-18/h4-11,17,22H,12-16H2,1-3H3/p+1/t22-/m1/s1