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

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3)F

InChI

InChI=1S/C20H23FN4O2/c1-14-5-6-15(10-17(14)21)12-24-19(26)11-18-20(27)23-8-9-25(18)13-16-4-2-3-7-22-16/h2-7,10,18H,8-9,11-13H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1