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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

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