N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxo-4-phenyl-butanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-oxo-4-phenylbutanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-4-keto-4-phenyl-butyramide Formula: C22H26FN2O2+ MolecularWeight: 369.452443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O2/c23-20-11-5-4-9-18(20)15-25-14-6-10-19(16-25)24-22(27)13-12-21(26)17-7-2-1-3-8-17/h1-5,7-9,11,19H,6,10,12-16H2,(H,24,27)/p+1/t19-/m0/s1