(E)-4-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]pent-2-en-1-one

Systemtic Name: (E)-4-methyl-1-[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-yl)piperidin-1-yl]pent-2-en-1-one Openeye Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidyl)-1-piperidyl]-4-methyl-pent-2-en-1-one CAS Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidinyl)-1-piperidinyl]-4-methyl-2-penten-1-one IUPAC Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-methylpent-2-en-1-one Traditional Name: (E)-1-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidino)piperidino]-4-methyl-pent-2-en-1-one Formula: C16H28N2O3 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)N1CCC(C(C1)O)N2CCC(CC2)O

Isomeric SMILES

CC(C)/C=C/C(=O)N1CC[C@H]([C@@H](C1)O)N2CCC(CC2)O

InChI

InChI=1S/C16H28N2O3/c1-12(2)3-4-16(21)18-10-7-14(15(20)11-18)17-8-5-13(19)6-9-17/h3-4,12-15,19-20H,5-11H2,1-2H3/b4-3+/t14-,15-/m1/s1