[2-(hexadecanoylamino)-4-nitro-phenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide

Systemtic Name: [2-(hexadecanoylamino)-4-nitro-phenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide Openeye Name: [2-(hexadecanoylamino)-4-nitro-phenyl] 2-(trimethylammonio)ethyl phosphate hydroxide CAS Name: [4-nitro-2-(1-oxohexadecylamino)phenyl] 2-(trimethylammonio)ethyl phosphate hydroxide IUPAC Name: [2-(hexadecanoylamino)-4-nitrophenyl] 2-(trimethylazaniumyl)ethyl phosphate hydroxide Traditional Name: (4-nitro-2-palmitamido-phenyl) 2-(trimethylammonio)ethyl phosphate hydroxide Formula: C27H49N3O8P- MolecularWeight: 574.667021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)([O-])OCC[N+](C)(C)C.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)([O-])OCC[N+](C)(C)C.[OH-]

InChI

InChI=1S/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2/p-1