3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoate CAS Name: 3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2,2-dimethylpropanoate IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethylpropanoate Traditional Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propionate Formula: C15H21FN2O2 MolecularWeight: 280.337843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2O2/c1-15(2,14(19)20)11-17-7-9-18(10-8-17)13-5-3-12(16)4-6-13/h3-6H,7-11H2,1-2H3,(H,19,20)