2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-imidazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-imidazol-1-ylethyl)acetamide Formula: C18H23FN5O2+ MolecularWeight: 360.405923

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCN2C=CN=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCN2C=CN=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O2/c19-15-3-1-14(2-4-15)12-24-10-7-22-18(26)16(24)11-17(25)21-6-9-23-8-5-20-13-23/h1-5,8,13,16H,6-7,9-12H2,(H,21,25)(H,22,26)/p+1/t16-/m1/s1