(1-methylpiperidin-1-ium-3-yl)methanol; (2R,3R)-4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: (1-methylpiperidin-1-ium-3-yl)methanol; (2R,3R)-4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: (2R,3R)-2,3-dibenzoyloxy-4-hydroxy-4-oxo-butanoate; (1-methylpiperidin-1-ium-3-yl)methanol CAS Name: (2R,3R)-2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate; (1-methyl-3-piperidin-1-iumyl)methanol IUPAC Name: (2R,3R)-2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate; (1-methylpiperidin-1-ium-3-yl)methanol Traditional Name: (2R,3R)-2,3-dibenzoyloxy-4-hydroxy-4-keto-butyrate; (1-methylpiperidin-1-ium-3-yl)methanol Formula: C25H29NO9 MolecularWeight: 487.49906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CO.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[NH+]1CCCC(C1)CO.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H14O8.C7H15NO/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-8-4-2-3-7(5-8)6-9/h1-10,13-14H,(H,19,20)(H,21,22);7,9H,2-6H2,1H3/t13-,14-;/m1./s1