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

Systemtic Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(2-thienylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(1R)-1-[1-(2-thenyl)tetrazol-5-yl]butyl]piperazin-4-ium Formula: C20H26FN6S+ MolecularWeight: 401.524043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC[C@H](C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H25FN6S/c1-2-4-19(20-22-23-24-27(20)15-18-5-3-14-28-18)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h3,5-9,14,19H,2,4,10-13,15H2,1H3/p+1/t19-/m1/s1