(phenylmethyl) 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: benzyl 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetic acid benzyl ester Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O2/c20-17-6-8-18(9-7-17)22-12-10-21(11-13-22)14-19(23)24-15-16-4-2-1-3-5-16/h1-9H,10-15H2/p+1