2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-propan-2-yloxyethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-propan-2-yloxyethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-isopropoxyethyl)acetamide CAS Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-propan-2-yloxyethyl)acetamide IUPAC Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-propan-2-yloxyethyl)acetamide Traditional Name: 2-[(2R)-1-(3-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-isopropoxyethyl)acetamide Formula: C18H27FN3O3+ MolecularWeight: 352.423683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)OCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

InChI

InChI=1S/C18H26FN3O3/c1-13(2)25-9-7-20-17(23)11-16-18(24)21-6-8-22(16)12-14-4-3-5-15(19)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m1/s1