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

Systemtic Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-indazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(3-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Formula: C23H27FN5O2+ MolecularWeight: 424.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=CC(=CC=C4)F

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5O2/c24-19-7-3-5-17(13-19)16-28-12-10-26-23(31)21(28)14-22(30)25-9-4-11-29-20-8-2-1-6-18(20)15-27-29/h1-3,5-8,13,15,21H,4,9-12,14,16H2,(H,25,30)(H,26,31)/p+1/t21-/m1/s1