1-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H23ClFN3O2/c22-17-6-7-19(18(23)12-17)25-20(27)14-26-10-8-16(9-11-26)21(28)24-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,24,28)(H,25,27)/p+1