1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

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