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

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[(4-fluorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH2+]CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2/c23-19-8-6-17(7-9-19)15-25-22(28)20(14-16-4-2-1-3-5-16)26-21(27)18-10-12-24-13-11-18/h1-9,18,20,24H,10-15H2,(H,25,28)(H,26,27)/p+1/t20-/m0/s1