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

Systemtic Name: (3S)-1-[(1R)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C20H22FN3O2/c21-16-8-10-17(11-9-16)23-20(26)18(14-5-2-1-3-6-14)24-12-4-7-15(13-24)19(22)25/h1-3,5-6,8-11,15,18H,4,7,12-13H2,(H2,22,25)(H,23,26)/p+1/t15-,18+/m0/s1