4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]phenol; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]phenol; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxy-propyl]phenol; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 4-[1-hydroxy-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]phenol; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxypropyl]phenol; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 4-[2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxy-propyl]phenol; 2,3,4-trihydroxy-4-keto-butyrate Formula: C25H33NO8 MolecularWeight: 475.53142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)[NH+]2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)[NH+]2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C21H27NO2.C4H6O6/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)