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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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