2-[[(E)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium; (1-oxidanyl-1-phosphono-3-pyrrolidin-1-yl-propyl)phosphonic acid

Systemtic Name: 2-[[(E)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium; (1-oxidanyl-1-phosphono-3-pyrrolidin-1-yl-propyl)phosphonic acid Openeye Name: 2-[[(E)-2-amino-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium; (1-hydroxy-1-phosphono-3-pyrrolidin-1-yl-propyl)phosphonic acid CAS Name: 2-[[(E)-2-amino-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium; [1-hydroxy-1-phosphono-3-(1-pyrrolidinyl)propyl]phosphonic acid IUPAC Name: 2-[[(E)-2-amino-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium; (1-hydroxy-1-phosphono-3-pyrrolidin-1-ylpropyl)phosphonic acid Traditional Name: 2-[[(E)-2-amino-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium; (1-hydroxy-1-phosphono-3-pyrrolidino-propyl)phosphonic acid Formula: C30H67N3O12P3+ MolecularWeight: 754.787163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)N)O.C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)OCC[N+](C)(C)C)N)O.C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C23H49N2O5P.C7H17NO7P2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4;9-7(16(10,11)12,17(13,14)15)3-6-8-4-1-2-5-8/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3;9H,1-6H2,(H2,10,11,12)(H2,13,14,15)/p+1/b18-17+;