2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H21ClFN3O2/c21-16-6-7-17(18(22)12-16)20(27)25-10-8-24(9-11-25)14-19(26)23-13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,23,26)/p+1