(3S,4S,5R,6S)-3-butyl-6-(hydroxymethyl)-5-oxidanyl-4-tridecyl-piperidin-2-one

Systemtic Name: (3S,4S,5R,6S)-3-butyl-6-(hydroxymethyl)-5-oxidanyl-4-tridecyl-piperidin-2-one Openeye Name: (3S,4S,5R,6S)-3-butyl-5-hydroxy-6-(hydroxymethyl)-4-tridecyl-piperidin-2-one CAS Name: (3S,4S,5R,6S)-3-butyl-5-hydroxy-6-(hydroxymethyl)-4-tridecyl-2-piperidinone IUPAC Name: (3S,4S,5R,6S)-3-butyl-5-hydroxy-6-(hydroxymethyl)-4-tridecylpiperidin-2-one Traditional Name: (3S,4S,5R,6S)-3-butyl-5-hydroxy-6-methylol-4-tridecyl-2-piperidone Formula: C23H45NO3 MolecularWeight: 383.6083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(=O)NC(C1O)CO)CCCC

Isomeric SMILES

CCCCCCCCCCCCC[C@H]1[C@@H](C(=O)N[C@H]([C@@H]1O)CO)CCCC

InChI

InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(16-6-4-2)23(27)24-21(18-25)22(19)26/h19-22,25-26H,3-18H2,1-2H3,(H,24,27)/t19-,20-,21-,22+/m0/s1