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

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-pentoxy]-hydroxy-phosphoryl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]oxybutyl-dimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)pentoxy]phosphoryl]oxybutyl-dimethyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-5-6-7-8-9-10-11-12-13-15-22-35-30-19-17-28(18-20-30)25-29(24-27(2)32)26-37-38(33,34)36-23-16-14-21-31(3)4/h17-20,29H,5-16,21-26H2,1-4H3,(H,33,34)/p+1