1-[[(2S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[[(2S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[(2S)-1-[(5-cyano-2-fluoro-phenyl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenyl-urea CAS Name: 1-[[(2S)-1-[(5-cyano-2-fluorophenyl)methyl]-2-piperidin-1-iumyl]methyl]-3-phenylurea IUPAC Name: 1-[[(2S)-1-[(5-cyano-2-fluorophenyl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenylurea Traditional Name: 1-[[(2S)-1-(5-cyano-2-fluoro-benzyl)piperidin-1-ium-2-yl]methyl]-3-phenyl-urea Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CNC(=O)NC2=CC=CC=C2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CNC(=O)NC2=CC=CC=C2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C21H23FN4O/c22-20-10-9-16(13-23)12-17(20)15-26-11-5-4-8-19(26)14-24-21(27)25-18-6-2-1-3-7-18/h1-3,6-7,9-10,12,19H,4-5,8,11,14-15H2,(H2,24,25,27)/p+1/t19-/m0/s1