methyl 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H20FN2O2+ MolecularWeight: 267.319203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O2/c1-19-14(18)6-7-16-8-10-17(11-9-16)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3/p+1