[4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[[5-(hydroxymethyl)-2-furanyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=C(O4)CO

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=C(O4)CO

InChI

InChI=1S/C22H28N2O4/c25-16-21-8-7-20(28-21)15-23-13-9-19(10-14-23)27-18-5-3-17(4-6-18)22(26)24-11-1-2-12-24/h3-8,19,25H,1-2,9-16H2/p+1