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

Systemtic Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxidanylidene-chromen-7-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxo-chromen-7-yl]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[[4-methyl-2-oxo-6-(1-oxohexadecylamino)-1-benzopyran-7-yl]oxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[6-(hexadecanoylamino)-4-methyl-2-oxochromen-7-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-keto-4-methyl-6-palmitamido-chromen-7-yl)oxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H52N2O7P+ MolecularWeight: 595.727541

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N2O7P/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)/p+1