2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanoate

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanoate Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanoate CAS Name: 2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-methylpropanoate IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-methylpropanoate Traditional Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-methyl-propionate Formula: C14H19FN2O2 MolecularWeight: 266.311263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)[O-])[NH+]1CCN(CC1)C2=CC=CC=C2F

Isomeric SMILES

CC(C)(C(=O)[O-])[NH+]1CCN(CC1)C2=CC=CC=C2F

InChI

InChI=1S/C14H19FN2O2/c1-14(2,13(18)19)17-9-7-16(8-10-17)12-6-4-3-5-11(12)15/h3-6H,7-10H2,1-2H3,(H,18,19)