furan-2-yl-[(3S,4R)-4-(furan-2-yl)-4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: furan-2-yl-[(3S,4R)-4-(furan-2-yl)-4-oxidanyl-1-(phenylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3S,4R)-1-benzyl-4-(2-furyl)-4-hydroxy-piperidin-1-ium-3-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[(3S,4R)-4-(2-furanyl)-4-hydroxy-1-(phenylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: [(3S,4R)-1-benzyl-4-(furan-2-yl)-4-hydroxypiperidin-1-ium-3-yl]-(furan-2-yl)methanone Traditional Name: [(3S,4R)-1-benzyl-4-(2-furyl)-4-hydroxy-piperidin-1-ium-3-yl]-(2-furyl)methanone Formula: C21H22NO4+ MolecularWeight: 352.40368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1(C2=CC=CO2)O)C(=O)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]([C@]1(C2=CC=CO2)O)C(=O)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21NO4/c23-20(18-8-4-12-25-18)17-15-22(14-16-6-2-1-3-7-16)11-10-21(17,24)19-9-5-13-26-19/h1-9,12-13,17,24H,10-11,14-15H2/p+1/t17-,21-/m1/s1