(3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-(hydroxymethyl)piperidin-1-ium-3,4-diol

Systemtic Name: (3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-(hydroxymethyl)piperidin-1-ium-3,4-diol Openeye Name: (3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-(hydroxymethyl)piperidin-1-ium-3,4-diol CAS Name: (3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-(hydroxymethyl)piperidin-1-ium-3,4-diol IUPAC Name: (3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-(hydroxymethyl)piperidin-1-ium-3,4-diol Traditional Name: (3R,4R,5R)-1-butyl-1-(3-cyclohexylpropyl)-5-methylol-piperidin-1-ium-3,4-diol Formula: C19H38NO3+ MolecularWeight: 328.50992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC(C(C(C1)O)O)CO)CCCC2CCCCC2

Isomeric SMILES

CCCC[N+]1(C[C@@H]([C@H]([C@@H](C1)O)O)CO)CCCC2CCCCC2

InChI

InChI=1S/C19H38NO3/c1-2-3-11-20(12-7-10-16-8-5-4-6-9-16)13-17(15-21)19(23)18(22)14-20/h16-19,21-23H,2-15H2,1H3/q+1/t17-,18-,19-,20?/m1/s1