methyl 1-[[(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[(3R)-1-(2,2-dimethylpropyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3R)-3-hydroxy-2-keto-1-neopentyl-3-piperidyl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H33N2O4+ MolecularWeight: 341.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(C[NH+]2CCC(CC2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@](C1=O)(C[NH+]2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C18H32N2O4/c1-17(2,3)12-20-9-5-8-18(23,16(20)22)13-19-10-6-14(7-11-19)15(21)24-4/h14,23H,5-13H2,1-4H3/p+1/t18-/m1/s1