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

Systemtic Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyl-5-tetrazolyl)propyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-4-ium Traditional Name: 1-(2-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=CC=C4F

Isomeric SMILES

CC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H27FN6/c1-2-20(22-24-25-26-29(22)13-12-18-8-4-3-5-9-18)27-14-16-28(17-15-27)21-11-7-6-10-19(21)23/h3-11,20H,2,12-17H2,1H3/p+1/t20-/m1/s1