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

Systemtic Name: [4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl] ethanoate Openeye Name: [4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl] acetate CAS Name: acetic acid [4-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl] acetate Traditional Name: acetic acid [4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl] ester Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-15(26)29-19-8-2-16(3-9-19)21(28)25-12-10-24(11-13-25)14-20(27)23-18-6-4-17(22)5-7-18/h2-9H,10-14H2,1H3,(H,23,27)/p+1