ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-4-keto-butyric acid ethyl ester Formula: C18H25FN3O4+ MolecularWeight: 366.407203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN3O4/c1-2-26-18(25)8-7-17(24)22-11-9-21(10-12-22)13-16(23)20-15-5-3-14(19)4-6-15/h3-6H,2,7-13H2,1H3,(H,20,23)/p+1