[2-ethyl-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FN3/c1-3-16(4-2,13-18)20-11-9-19(10-12-20)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13,18H2,1-2H3/p+2