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

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)acetamide Formula: C18H22ClFN3O2+ MolecularWeight: 366.837583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H21ClFN3O2/c19-17-10-15(20)4-3-14(17)12-22-5-7-23(8-6-22)13-18(24)21-11-16-2-1-9-25-16/h1-4,9-10H,5-8,11-13H2,(H,21,24)/p+1