2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium

Systemtic Name: 2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium Openeye Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium CAS Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium IUPAC Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium Traditional Name: 2-carboxy-4-hydroxy-4-keto-2-methylol-butyrate; 1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium Formula: C23H33NO10 MolecularWeight: 483.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=CC=CC=C2O1)CCOCC[NH+]3CCCCC3.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CC1(OC2=CC=CC=C2O1)CCOCC[NH+]3CCCCC3.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C17H25NO3.C6H8O7/c1-17(20-15-7-3-4-8-16(15)21-17)9-13-19-14-12-18-10-5-2-6-11-18;7-2-6(4(10)11,5(12)13)1-3(8)9/h3-4,7-8H,2,5-6,9-14H2,1H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)