[(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate

Systemtic Name: [(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate Openeye Name: [(3S)-3-(dimethylamino)-4-octadecoxy-butyl]-[2-(trimethylammonio)ethoxy]phosphinate CAS Name: [(3S)-3-(dimethylamino)-4-octadecoxybutyl]-[2-(trimethylammonio)ethoxy]phosphinate IUPAC Name: [(3S)-3-(dimethylamino)-4-octadecoxybutyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate Traditional Name: [(3S)-3-(dimethylamino)-4-stearyloxy-butyl]-[2-(trimethylammonio)ethoxy]phosphinate Formula: C29H63N2O4P MolecularWeight: 534.795281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)([O-])OCC[N+](C)(C)C)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)N(C)C

InChI

InChI=1S/C29H63N2O4P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-34-28-29(30(2)3)23-27-36(32,33)35-26-24-31(4,5)6/h29H,7-28H2,1-6H3/t29-/m0/s1