[2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C21H23F2N2O3+ MolecularWeight: 389.415726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)OCC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22F2N2O3/c1-15(26)28-14-20(27)24-10-12-25(13-11-24)21(16-2-6-18(22)7-3-16)17-4-8-19(23)9-5-17/h2-9,21H,10-14H2,1H3/p+1