2-[[2-(dodecanoylamino)-4-nitro-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(dodecanoylamino)-4-nitro-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(dodecanoylamino)-4-nitro-phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[4-nitro-2-(1-oxododecylamino)phenoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(dodecanoylamino)-4-nitrophenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-(lauroylamino)-4-nitro-phenoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C23H41N3O7P+ MolecularWeight: 502.561301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C23H40N3O7P/c1-5-6-7-8-9-10-11-12-13-14-23(27)24-21-19-20(25(28)29)15-16-22(21)33-34(30,31)32-18-17-26(2,3)4/h15-16,19H,5-14,17-18H2,1-4H3,(H-,24,27,30,31)/p+1