(1,1-dimethyl-2-octadecyl-piperidin-1-ium-4-yl) dihydrogen phosphate

Systemtic Name: (1,1-dimethyl-2-octadecyl-piperidin-1-ium-4-yl) dihydrogen phosphate Openeye Name: (1,1-dimethyl-2-octadecyl-piperidin-1-ium-4-yl) dihydrogen phosphate CAS Name: (1,1-dimethyl-2-octadecyl-4-piperidin-1-iumyl) dihydrogen phosphate IUPAC Name: (1,1-dimethyl-2-octadecylpiperidin-1-ium-4-yl) dihydrogen phosphate Traditional Name: (1,1-dimethyl-2-stearyl-piperidin-1-ium-4-yl) dihydrogen phosphate Formula: C25H53NO4P+ MolecularWeight: 462.666381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(CC[N+]1(C)C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(CC[N+]1(C)C)OP(=O)(O)O

InChI

InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25(30-31(27,28)29)21-22-26(24,2)3/h24-25H,4-23H2,1-3H3,(H-,27,28,29)/p+1