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

Systemtic Name: N-(4-fluorophenyl)-2-[(2S)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[(2S)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[(2S)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[(2S)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@@H]1CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O2/c1-12(2)7-9-21-10-8-19-17(23)15(21)11-16(22)20-14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)(H,20,22)/p+1/t15-/m0/s1