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

Systemtic Name: 2-[(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-cyclooctyl-ethanamide Openeye Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-cyclooctyl-acetamide CAS Name: 2-[(2R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-cyclooctylacetamide IUPAC Name: 2-[(2R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-cyclooctylacetamide Traditional Name: 2-[(2R)-1-(2-chloro-4-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-cyclooctyl-acetamide Formula: C21H30ClFN3O2+ MolecularWeight: 410.933203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H29ClFN3O2/c22-18-12-16(23)9-8-15(18)14-26-11-10-24-21(28)19(26)13-20(27)25-17-6-4-2-1-3-5-7-17/h8-9,12,17,19H,1-7,10-11,13-14H2,(H,24,28)(H,25,27)/p+1/t19-/m1/s1