2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C14H17FN2O4 MolecularWeight: 296.294183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-])F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-])F

InChI

InChI=1S/C14H17FN2O4/c1-21-10-3-2-9(11(15)6-10)8-17-5-4-16-14(20)12(17)7-13(18)19/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,20)(H,18,19)