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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(2S)-1-oxo-2-phenoxybutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O3/c1-2-20(29-19-9-4-3-5-10-19)22(28)26-13-11-25(12-14-26)16-21(27)24-18-8-6-7-17(23)15-18/h3-10,15,20H,2,11-14,16H2,1H3,(H,24,27)/p+1/t20-/m0/s1