(1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecoxymethyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecoxymethyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: (1,1-dimethyl-4-piperidin-1-iumyl) [2-(hexadecoxymethyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) [2-(hexadecoxymethyl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [2-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl (1,1-dimethylpiperidin-1-ium-4-yl) hydrogen phosphate Formula: C29H59NO6P+ MolecularWeight: 548.755621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)(O)OC2CC[N+](CC2)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)(O)OC2CC[N+](CC2)(C)C

InChI

InChI=1S/C29H58NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-26-29(21-18-25-34-29)27-35-37(31,32)36-28-19-22-30(2,3)23-20-28/h28H,4-27H2,1-3H3/p+1