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

Systemtic Name: 2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-cyclohexyl-acetamide CAS Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-cyclohexylacetamide IUPAC Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-cyclohexylacetamide Traditional Name: 2-[(2R)-1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-cyclohexyl-acetamide Formula: C19H26ClFN3O2+ MolecularWeight: 382.880043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C19H25ClFN3O2/c20-15-7-6-13(10-16(15)21)12-24-9-8-22-19(26)17(24)11-18(25)23-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,11-12H2,(H,22,26)(H,23,25)/p+1/t17-/m1/s1