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

Systemtic Name: 1-(2-fluorophenyl)-4-[(1R)-3-methyl-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)-4-[(1R)-3-methyl-1-[1-(2-thienylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)-4-[(1R)-3-methyl-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]butyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)-4-[(1R)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)-4-[(1R)-3-methyl-1-[1-(2-thenyl)tetrazol-5-yl]butyl]piperazin-4-ium Formula: C21H28FN6S+ MolecularWeight: 415.550623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C[C@H](C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C21H27FN6S/c1-16(2)14-20(21-23-24-25-28(21)15-17-6-5-13-29-17)27-11-9-26(10-12-27)19-8-4-3-7-18(19)22/h3-8,13,16,20H,9-12,14-15H2,1-2H3/p+1/t20-/m1/s1