N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[(2R)-1-methyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[(2R)-1-methyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-1-methyl-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-1-methyl-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[(2R)-3-keto-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C15H21FN3O2+ MolecularWeight: 294.344543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C)F

InChI

InChI=1S/C15H20FN3O2/c1-10-3-4-11(7-12(10)16)9-18-14(20)8-13-15(21)17-5-6-19(13)2/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,21)(H,18,20)/p+1/t13-/m1/s1