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

Systemtic Name: 1-[(R)-(2-fluorophenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(R)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(2-fluorophenyl)methyl]piperazin-1-ium CAS Name: 1-[(R)-(2-fluorophenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(R)-(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazin-1-ium Traditional Name: 1-[(R)-(1-tert-amyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-benzyl-piperazin-4-ium Formula: C24H32FN6+ MolecularWeight: 423.549483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2F)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@@H](C2=CC=CC=C2F)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31FN6/c1-4-24(2,3)31-23(26-27-28-31)22(20-12-8-9-13-21(20)25)30-16-14-29(15-17-30)18-19-10-6-5-7-11-19/h5-13,22H,4,14-18H2,1-3H3/p+1/t22-/m1/s1