[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H19ClFN2O+ MolecularWeight: 333.807663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClFN2O/c19-17-12-16(20)7-6-15(17)13-21-8-10-22(11-9-21)18(23)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1