2-[[[(2S,3R)-2-(hexanoylamino)-3-oxidanyl-decyl]amino]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[[(2S,3R)-2-(hexanoylamino)-3-oxidanyl-decyl]amino]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[[(2S,3R)-2-(hexanoylamino)-3-hydroxy-decyl]amino]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[[(2S,3R)-3-hydroxy-2-(1-oxohexylamino)decyl]amino]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[[(2S,3R)-2-(hexanoylamino)-3-hydroxydecyl]amino]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[[(2S,3R)-2-(caproylamino)-3-hydroxy-decyl]amino]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H47N3O5P+ MolecularWeight: 452.588741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CNP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

Isomeric SMILES

CCCCCCC[C@H]([C@H](CNP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

InChI

InChI=1S/C21H46N3O5P/c1-6-8-10-11-13-14-20(25)19(23-21(26)15-12-9-7-2)18-22-30(27,28)29-17-16-24(3,4)5/h19-20,25H,6-18H2,1-5H3,(H2-,22,23,26,27,28)/p+1/t19-,20+/m0/s1