1-[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23ClFN3O2/c1-14(20(27)25-19-8-7-16(23)13-18(19)22)26-11-9-15(10-12-26)21(28)24-17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,27)/p+1/t14-/m0/s1