3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl-ethyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl-ethyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxypropyl-ethyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxypropyl-ethyl-dimethylammonium IUPAC Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxypropyl-ethyl-dimethylazanium Traditional Name: ethyl-[3-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxypropyl]-dimethyl-ammonium Formula: C33H61NO6P+ MolecularWeight: 598.814301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCC[N+](C)(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCC[N+](C)(C)CC

InChI

InChI=1S/C33H60NO6P/c1-6-9-10-11-12-13-14-15-16-17-25-38-33-22-20-30(21-23-33)27-31(28-32(35)19-7-2)29-40-41(36,37)39-26-18-24-34(4,5)8-3/h20-23,31H,6-19,24-29H2,1-5H3/p+1