2-[[6-(hexadecanoylamino)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium chloride

Systemtic Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium chloride Openeye Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxo-chromen-7-yl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium chloride CAS Name: 2-[hydroxy-[[4-methyl-2-oxo-6-(1-oxohexadecylamino)-1-benzopyran-7-yl]oxy]phosphoryl]oxyethyl-trimethylammonium chloride IUPAC Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxochromen-7-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium chloride Traditional Name: 2-[hydroxy-(2-keto-4-methyl-6-palmitamido-chromen-7-yl)oxy-phosphoryl]oxyethyl-trimethyl-ammonium chloride Formula: C31H52ClN2O7P MolecularWeight: 631.180541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OP(=O)(O)OCC[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OP(=O)(O)OCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C31H51N2O7P.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)32-27-23-26-25(2)22-31(35)39-28(26)24-29(27)40-41(36,37)38-21-20-33(3,4)5;/h22-24H,6-21H2,1-5H3,(H-,32,34,36,37);1H