N-[[(3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3R)-1-[[5-(hydroxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3R)-1-[[5-(hydroxymethyl)-2-furanyl]methyl]-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3R)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3R)-1-[(5-methylol-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(O2)CO)CNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(O2)CO)CNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C20H24N4O3/c25-13-16-8-7-15(27-16)12-24-9-3-4-14(11-24)10-21-20(26)19-17-5-1-2-6-18(17)22-23-19/h1-2,5-8,14,25H,3-4,9-13H2,(H,21,26)(H,22,23)/p+1/t14-/m1/s1