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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2/c1-15(20(26)24-19-9-5-6-17(22)14-19)25-12-10-16(11-13-25)21(27)23-18-7-3-2-4-8-18/h2-9,14-16H,10-13H2,1H3,(H,23,27)(H,24,26)/p+1/t15-/m0/s1