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

Systemtic Name: (3S)-1-[2-[(2-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(2-amino-4-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(2-amino-4-fluoro-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C14H20FN4O2+ MolecularWeight: 295.332603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)F)N)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)F)N)C(=O)N

InChI

InChI=1S/C14H19FN4O2/c15-10-3-4-12(11(16)6-10)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,21)(H,18,20)/p+1/t9-/m0/s1