diethyl 2-acetamido-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]malonic acid diethyl ester Formula: C20H29FN3O5+ MolecularWeight: 410.459763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28FN3O5/c1-4-28-18(26)20(22-15(3)25,19(27)29-5-2)14-23-10-12-24(13-11-23)17-8-6-16(21)7-9-17/h6-9H,4-5,10-14H2,1-3H3,(H,22,25)/p+1