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

Systemtic Name: trimethyl-[2-[[4-nitro-2-(octadecanoylamino)phenoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[4-nitro-2-(octadecanoylamino)phenoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[4-nitro-2-(1-oxooctadecylamino)phenoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[4-nitro-2-(octadecanoylamino)phenoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(4-nitro-2-stearamido-phenoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H53N3O7P+ MolecularWeight: 586.720781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52N3O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)30-27-25-26(31(34)35)21-22-28(27)39-40(36,37)38-24-23-32(2,3)4/h21-22,25H,5-20,23-24H2,1-4H3,(H-,30,33,36,37)/p+1