(1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-methoxy-propyl) hydrogen phosphate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-methoxy-propyl) hydrogen phosphate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-methoxy-propyl) hydrogen phosphate CAS Name: (1,1-dimethyl-4-piperidin-1-iumyl) (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) (1,1-dimethylpiperidin-1-ium-4-yl) hydrogen phosphate Formula: C27H57NO6P+ MolecularWeight: 522.718341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1CC[N+](CC1)(C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1CC[N+](CC1)(C)C)OC

InChI

InChI=1S/C27H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-24-27(31-4)25-33-35(29,30)34-26-19-21-28(2,3)22-20-26/h26-27H,5-25H2,1-4H3/p+1