(2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-ol

Systemtic Name: (2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-ol Openeye Name: (2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-ol CAS Name: (2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynyl-4-piperidin-1-iumol IUPAC Name: (2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-prop-2-ynylpiperidin-1-ium-4-ol Traditional Name: (2S,4R,5S)-4-diethoxyphosphoryl-2,5-dimethyl-1-propargyl-piperidin-1-ium-4-ol Formula: C14H27NO4P+ MolecularWeight: 304.342241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CC([NH+](CC1C)CC#C)C)O)OCC

Isomeric SMILES

CCOP(=O)([C@@]1(C[C@@H]([NH+](C[C@@H]1C)CC#C)C)O)OCC

InChI

InChI=1S/C14H26NO4P/c1-6-9-15-11-12(4)14(16,10-13(15)5)20(17,18-7-2)19-8-3/h1,12-13,16H,7-11H2,2-5H3/p+1/t12-,13-,14+/m0/s1