O3-tert-butyl O1-methyl 4-(2-methoxy-2-oxidanylidene-ethanoyl)-1-oxidanyl-4-prop-2-enyl-piperidin-1-ium-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 4-(2-methoxy-2-oxidanylidene-ethanoyl)-1-oxidanyl-4-prop-2-enyl-piperidin-1-ium-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 4-allyl-1-hydroxy-4-(2-methoxy-2-oxo-acetyl)piperidin-1-ium-1,3-dicarboxylate CAS Name: 1-hydroxy-4-(2-methoxy-1,2-dioxoethyl)-4-prop-2-enylpiperidin-1-ium-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 1-hydroxy-4-(2-methoxy-2-oxoacetyl)-4-prop-2-enylpiperidin-1-ium-1,3-dicarboxylate Traditional Name: 4-allyl-1-hydroxy-4-methoxalyl-piperidin-1-ium-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C18H28NO8+ MolecularWeight: 386.41682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C[N+](CCC1(CC=C)C(=O)C(=O)OC)(C(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1C[N+](CCC1(CC=C)C(=O)C(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C18H28NO8/c1-7-8-18(13(20)15(22)25-5)9-10-19(24,16(23)26-6)11-12(18)14(21)27-17(2,3)4/h7,12,24H,1,8-11H2,2-6H3/q+1