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

Systemtic Name: [1-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(2-chloro-4-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(2-chloro-4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(2-chloro-4-fluoro-benzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C22H33ClFN3O+2 MolecularWeight: 409.968323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H31ClFN3O/c23-21-15-19(24)4-3-18(21)16-25-11-7-20(8-12-25)26-13-5-17(6-14-26)22(28)27-9-1-2-10-27/h3-4,15,17,20H,1-2,5-14,16H2/p+2