[1-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[[2-(2-furyl)phenyl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[[2-(2-furanyl)phenyl]methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[2-(2-furyl)benzyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C26H37N3O2+2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C5=CC=CO5

Isomeric SMILES

C1CCN(C1)C(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C5=CC=CO5

InChI

InChI=1S/C26H35N3O2/c30-26(29-13-3-4-14-29)21-9-17-28(18-10-21)23-11-15-27(16-12-23)20-22-6-1-2-7-24(22)25-8-5-19-31-25/h1-2,5-8,19,21,23H,3-4,9-18,20H2/p+2