methyl 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN2O2/c1-24-19(23)16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3/p+1