N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-fluoro-benzamide Formula: C24H24ClFN3O+ MolecularWeight: 424.918263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23ClFN3O/c25-23-4-2-1-3-19(23)17-28-13-15-29(16-14-28)22-11-9-21(10-12-22)27-24(30)18-5-7-20(26)8-6-18/h1-12H,13-17H2,(H,27,30)/p+1