N-[[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[2-(2-phenylethynyl)benzyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C#CC3=CC=CC=C3)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C#CC3=CC=CC=C3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C26H26N2O2/c29-26(25-13-7-17-30-25)27-18-22-10-6-16-28(19-22)20-24-12-5-4-11-23(24)15-14-21-8-2-1-3-9-21/h1-5,7-9,11-13,17,22H,6,10,16,18-20H2,(H,27,29)/p+1/t22-/m1/s1