1-[5-(2-phenylethynyl)furan-2-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[5-(2-phenylethynyl)furan-2-yl]carbonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[5-(2-phenylethynyl)furan-2-carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[5-(2-phenylethynyl)furan-2-carbonyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[5-(2-phenylethynyl)-2-furoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H27N3O3/c25-23(29)24(27-15-5-2-6-16-27)13-17-26(18-14-24)22(28)21-12-11-20(30-21)10-9-19-7-3-1-4-8-19/h1,3-4,7-8,11-12H,2,5-6,13-18H2,(H2,25,29)/p+1