[(3R)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[[5-(2-nitrophenyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[[5-(2-nitrophenyl)-2-furanyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[[5-(2-nitrophenyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methanol Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CO

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CO

InChI

InChI=1S/C17H20N2O4/c20-12-13-4-3-9-18(10-13)11-14-7-8-17(23-14)15-5-1-2-6-16(15)19(21)22/h1-2,5-8,13,20H,3-4,9-12H2/p+1/t13-/m1/s1