N-(3-fluorophenyl)-2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-(1-oxo-2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O3/c21-16-5-4-6-17(13-16)22-19(25)14-23-9-11-24(12-10-23)20(26)15-27-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,22,25)/p+1