2-[[3-(butanoylamino)-2-heptadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(butanoylamino)-2-heptadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(butanoylamino)-2-heptadecoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-heptadecoxy-3-(1-oxobutylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(butanoylamino)-2-heptadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(3-butyramido-2-heptadecoxy-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C29H62N2O6P+ MolecularWeight: 565.786141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(CNC(=O)CCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C29H61N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-28(26-30-29(32)22-7-2)27-37-38(33,34)36-25-23-31(3,4)5/h28H,6-27H2,1-5H3,(H-,30,32,33,34)/p+1