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

Systemtic Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-phenylcyclopropyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)NC(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=C4F

Isomeric SMILES

C1CC1(C2=CC=CC=C2)NC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O2/c23-18-9-5-4-6-16(18)15-26-13-12-24-21(28)19(26)14-20(27)25-22(10-11-22)17-7-2-1-3-8-17/h1-9,19H,10-15H2,(H,24,28)(H,25,27)/p+1/t19-/m1/s1