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

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-ethyl-dimethyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxybutyl-ethyl-dimethyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-ethyl-dimethylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-ethyl-dimethylazanium Traditional Name: ethyl-[4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxybutyl]-dimethyl-ammonium Formula: C34H63NO6P+ MolecularWeight: 612.840881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H62NO6P/c1-6-9-10-11-12-13-14-15-16-18-26-39-34-23-21-31(22-24-34)28-32(29-33(36)20-7-2)30-41-42(37,38)40-27-19-17-25-35(4,5)8-3/h21-24,32H,6-20,25-30H2,1-5H3/p+1