N-(3-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[5-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H25FN3O4+ MolecularWeight: 438.471403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C24H24FN3O4/c25-18-5-4-6-19(15-18)26-23(29)16-27-11-13-28(14-12-27)24(30)22-10-9-21(32-22)17-31-20-7-2-1-3-8-20/h1-10,15H,11-14,16-17H2,(H,26,29)/p+1