4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-2-one Formula: C11H13ClFN2O+ MolecularWeight: 243.685123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C11H12ClFN2O/c12-9-2-1-3-10(13)8(9)6-15-5-4-14-11(16)7-15/h1-3H,4-7H2,(H,14,16)/p+1