[(2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3,3-dimethyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,2-dimethyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3,3-dimethylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3,3-dimethylbutan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2,2-dimethyl-propyl]ammonium Formula: C16H28FN3+2 MolecularWeight: 281.412023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FN3/c1-16(2,3)15(18)12-19-8-10-20(11-9-19)14-6-4-13(17)5-7-14/h4-7,15H,8-12,18H2,1-3H3/p+2/t15-/m1/s1