[(2R,3S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium

Systemtic Name: [(2R,3S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium Openeye Name: [(1R,2S)-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-butyl]ammonium CAS Name: [(2R,3S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-methylpentan-2-yl]ammonium IUPAC Name: [(2R,3S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-methylpentan-2-yl]azanium Traditional Name: [(1R,2S)-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-butyl]ammonium Formula: C16H28FN3+2 MolecularWeight: 281.412023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FN3/c1-3-13(2)16(18)12-19-8-10-20(11-9-19)15-6-4-14(17)5-7-15/h4-7,13,16H,3,8-12,18H2,1-2H3/p+2/t13-,16-/m0/s1