1-[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,6-difluoroanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,6-difluoroanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H22F2N3O2+ MolecularWeight: 374.404386

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C20H21F2N3O2/c21-16-7-4-8-17(22)19(16)24-18(26)13-25-11-9-14(10-12-25)20(27)23-15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,27)(H,24,26)/p+1