ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(3-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C15H20FN2O3+ MolecularWeight: 295.329303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

InChI

InChI=1S/C15H19FN2O3/c1-2-21-14(19)9-13-15(20)17-6-7-18(13)10-11-4-3-5-12(16)8-11/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,20)/p+1