4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C18H19ClF2N3O+ MolecularWeight: 366.812766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18ClF2N3O/c19-17-11-15(21)2-1-13(17)12-23-7-9-24(10-8-23)18(25)22-16-5-3-14(20)4-6-16/h1-6,11H,7-10,12H2,(H,22,25)/p+1