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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-methyl-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(2S)-2-methylbutanoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24FN3O2/c1-3-13(2)17(23)21-9-7-20(8-10-21)12-16(22)19-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1