5-chloranyl-2-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 5-chloranyl-2-fluoranyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-fluoro-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-5-chloro-2-fluorobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-5-chloro-2-fluorobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-chloro-2-fluoro-benzamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)Cl)F)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)Cl)F)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21ClFN3O2/c21-14-6-7-18(22)17(12-14)20(27)24-16-8-10-25(11-9-16)13-19(26)23-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13H2,(H,23,26)(H,24,27)/p+1