[2-[(1R,3R)-3-(hexadecanoylamino)cyclohexyl]-2-phosphonooxy-ethyl]-trimethyl-azanium

Systemtic Name: [2-[(1R,3R)-3-(hexadecanoylamino)cyclohexyl]-2-phosphonooxy-ethyl]-trimethyl-azanium Openeye Name: [2-[(1R,3R)-3-(hexadecanoylamino)cyclohexyl]-2-phosphonooxy-ethyl]-trimethyl-ammonium CAS Name: trimethyl-[2-[(1R,3R)-3-(1-oxohexadecylamino)cyclohexyl]-2-phosphonooxyethyl]ammonium IUPAC Name: [2-[(1R,3R)-3-(hexadecanoylamino)cyclohexyl]-2-phosphonooxyethyl]-trimethylazanium Traditional Name: trimethyl-[2-[(1R,3R)-3-palmitamidocyclohexyl]-2-phosphonooxy-ethyl]ammonium Formula: C27H56N2O5P+ MolecularWeight: 519.717701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1CCCC(C1)C(C[N+](C)(C)C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCC[C@H](C1)C(C[N+](C)(C)C)OP(=O)(O)O

InChI

InChI=1S/C27H55N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27(30)28-25-20-18-19-24(22-25)26(23-29(2,3)4)34-35(31,32)33/h24-26H,5-23H2,1-4H3,(H2-,28,30,31,32,33)/p+1/t24-,25-,26?/m1/s1