N-[[(3R)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)F)N3C=CC=N3)CNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)F)N3C=CC=N3)CNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29FN4O/c26-23-10-11-24(30-15-5-13-28-30)22(16-23)19-29-14-4-8-21(18-29)17-27-25(31)12-9-20-6-2-1-3-7-20/h1-3,5-7,10-11,13,15-16,21H,4,8-9,12,14,17-19H2,(H,27,31)/p+1/t21-/m1/s1