2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopentyl-acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-cyclopentylacetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopentylacetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-acetamide Formula: C18H27ClFN3O+2 MolecularWeight: 355.877883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H25ClFN3O/c19-17-11-15(20)6-5-14(17)12-22-7-9-23(10-8-22)13-18(24)21-16-3-1-2-4-16/h5-6,11,16H,1-4,7-10,12-13H2,(H,21,24)/p+2