(1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] phosphate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] phosphate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecylsulfanylmethyl)-3-methoxy-propyl] phosphate CAS Name: (1,1-dimethyl-4-piperidin-1-iumyl) [2-[(hexadecylthio)methyl]-3-methoxypropyl] phosphate IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] phosphate Traditional Name: [2-[(cetylthio)methyl]-3-methoxy-propyl] (1,1-dimethylpiperidin-1-ium-4-yl) phosphate Formula: C28H58NO5PS MolecularWeight: 551.802581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OC1CC[N+](CC1)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OC1CC[N+](CC1)(C)C

InChI

InChI=1S/C28H58NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36-26-27(24-32-4)25-33-35(30,31)34-28-19-21-29(2,3)22-20-28/h27-28H,5-26H2,1-4H3