octadecyl 3-(hydroxymethyl)-1-phosphonooxy-piperidin-1-ium-1-carboxylate

Systemtic Name: octadecyl 3-(hydroxymethyl)-1-phosphonooxy-piperidin-1-ium-1-carboxylate Openeye Name: octadecyl 3-(hydroxymethyl)-1-phosphonooxy-piperidin-1-ium-1-carboxylate CAS Name: 3-(hydroxymethyl)-1-phosphonooxy-1-piperidin-1-iumcarboxylic acid octadecyl ester IUPAC Name: octadecyl 3-(hydroxymethyl)-1-phosphonooxypiperidin-1-ium-1-carboxylate Traditional Name: 3-methylol-1-phosphonooxy-piperidin-1-ium-1-carboxylic acid stearyl ester Formula: C25H51NO7P+ MolecularWeight: 508.648701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)[N+]1(CCCC(C1)CO)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[N+]1(CCCC(C1)CO)OP(=O)(O)O

InChI

InChI=1S/C25H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-25(28)26(33-34(29,30)31)20-18-19-24(22-26)23-27/h24,27H,2-23H2,1H3,(H-,29,30,31)/p+1