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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-(4-fluorobenzyl)tetrazol-5-yl]butyl]piperazin-4-ium Formula: C24H32FN6+ MolecularWeight: 423.549483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN6/c1-4-5-22(24-26-27-28-31(24)17-20-8-10-21(25)11-9-20)29-12-14-30(15-13-29)23-16-18(2)6-7-19(23)3/h6-11,16,22H,4-5,12-15,17H2,1-3H3/p+1/t22-/m1/s1