1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-(1-isopentyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-[1-(3-methylbutyl)-5-tetrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(S)-(4-fluorophenyl)-(1-isoamyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C23H29F2N6+ MolecularWeight: 427.513366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=N1)C(C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)CCN1C(=NN=N1)[C@H](C2=CC=C(C=C2)F)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H28F2N6/c1-17(2)11-12-31-23(26-27-28-31)22(18-7-9-19(24)10-8-18)30-15-13-29(14-16-30)21-6-4-3-5-20(21)25/h3-10,17,22H,11-16H2,1-2H3/p+1/t22-/m0/s1