N-[[(3R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[(3R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide CAS Name: N-[[(3R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-piperidin-1-iumyl]methyl]-1H-indazole-3-carboxamide IUPAC Name: N-[[(3R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Traditional Name: N-[[(3R)-1-(benzofurazan-5-ylmethyl)piperidin-1-ium-3-yl]methyl]-1H-indazole-3-carboxamide Formula: C21H23N6O2+ MolecularWeight: 391.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NON=C3C=C2)CNC(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NON=C3C=C2)CNC(=O)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C21H22N6O2/c28-21(20-16-5-1-2-6-17(16)23-24-20)22-11-15-4-3-9-27(13-15)12-14-7-8-18-19(10-14)26-29-25-18/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,22,28)(H,23,24)/p+1/t15-/m1/s1