[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-pentyl]azanium

Systemtic Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-pentyl]azanium Openeye Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-pentyl]ammonium CAS Name: [(2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-methylpentyl]ammonium IUPAC Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-methylpentyl]azanium Traditional Name: [(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-pentyl]ammonium Formula: C16H28FN3+2 MolecularWeight: 281.412023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C[NH3+])[NH+]1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CCC[C@](C)(C[NH3+])[NH+]1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H26FN3/c1-3-8-16(2,13-18)20-11-9-19(10-12-20)15-6-4-14(17)5-7-15/h4-7H,3,8-13,18H2,1-2H3/p+2/t16-/m1/s1