trimethyl-[2-[[2-[2-[2-[2-methyl-4-(2-methylpropyl)phenyl]ethanoylamino]hexanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[2-[2-[2-[2-methyl-4-(2-methylpropyl)phenyl]ethanoylamino]hexanoyloxy]-3-octadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-[2-[[2-(4-isobutyl-2-methyl-phenyl)acetyl]amino]hexanoyloxy]-3-octadecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-[2-[[2-[2-methyl-4-(2-methylpropyl)phenyl]-1-oxoethyl]amino]-1-oxohexoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[2-[2-[[2-[2-methyl-4-(2-methylpropyl)phenyl]acetyl]amino]hexanoyloxy]-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[2-[2-[[2-(4-isobutyl-2-methyl-phenyl)acetyl]amino]hexanoyloxy]-3-stearoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C45H82N2O9P+ MolecularWeight: 826.114341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCC)NC(=O)CC1=C(C=C(C=C1)CC(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C(CCCC)NC(=O)CC1=C(C=C(C=C1)CC(C)C)C

InChI

InChI=1S/C45H81N2O9P/c1-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-44(49)53-35-41(36-55-57(51,52)54-31-30-47(6,7)8)56-45(50)42(26-12-10-2)46-43(48)34-40-29-28-39(32-37(3)4)33-38(40)5/h28-29,33,37,41-42H,9-27,30-32,34-36H2,1-8H3,(H-,46,48,51,52)/p+1