2-[[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C2CC[NH+](CC2O)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCC(CC2)O)O)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H27N3O3/c24-15-5-9-23(10-6-15)18-7-8-22(13-20(18)26)12-14-11-19(25)16-3-1-2-4-17(16)21-14/h1-4,11,15,18,20,24,26H,5-10,12-13H2,(H,21,25)/p+2/t18-,20-/m1/s1