(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

Systemtic Name: (2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol Openeye Name: (2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol CAS Name: (2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol IUPAC Name: (2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol Traditional Name: (2S,3S,4R,5S)-1-butyl-2-methylol-piperidin-1-ium-3,4,5-triol Formula: C10H22NO4+ MolecularWeight: 220.28598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC(C(C(C1CO)O)O)O

Isomeric SMILES

CCCC[NH+]1C[C@@H]([C@H]([C@H]([C@@H]1CO)O)O)O

InChI

InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/p+1/t7-,8-,9-,10+/m0/s1