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

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24ClFN3O+ MolecularWeight: 376.875463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O/c21-19-12-18(22)7-6-17(19)14-24-8-10-25(11-9-24)15-20(26)23-13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,23,26)/p+1