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

Systemtic Name: 2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-cycloheptyl-acetamide CAS Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-cycloheptylacetamide IUPAC Name: 2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-cycloheptylacetamide Traditional Name: 2-[(2R)-1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-cycloheptyl-acetamide Formula: C20H28ClFN3O2+ MolecularWeight: 396.906623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C20H27ClFN3O2/c21-16-8-7-14(11-17(16)22)13-25-10-9-23-20(27)18(25)12-19(26)24-15-5-3-1-2-4-6-15/h7-8,11,15,18H,1-6,9-10,12-13H2,(H,23,27)(H,24,26)/p+1/t18-/m1/s1