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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C20H27ClFN3O2/c1-24(15-5-3-2-4-6-15)19(26)12-18-20(27)23-9-10-25(18)13-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3,(H,23,27)/p+1/t18-/m0/s1