N-[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(4-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(4-fluoroanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH2+]CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2/c22-17-6-8-18(9-7-17)24-21(27)19(14-15-4-2-1-3-5-15)25-20(26)16-10-12-23-13-11-16/h1-9,16,19,23H,10-14H2,(H,24,27)(H,25,26)/p+1/t19-/m0/s1