hexadecyl 2-[(3-iodanylphenyl)methyl-dimethyl-azaniumyl]ethyl phosphate

Systemtic Name: hexadecyl 2-[(3-iodanylphenyl)methyl-dimethyl-azaniumyl]ethyl phosphate Openeye Name: hexadecyl 2-[(3-iodophenyl)methyl-dimethyl-ammonio]ethyl phosphate CAS Name: hexadecyl 2-[(3-iodophenyl)methyl-dimethylammonio]ethyl phosphate IUPAC Name: hexadecyl 2-[(3-iodophenyl)methyl-dimethylazaniumyl]ethyl phosphate Traditional Name: cetyl 2-[(3-iodobenzyl)-dimethyl-ammonio]ethyl phosphate Formula: C27H49INO4P MolecularWeight: 609.560491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CC1=CC(=CC=C1)I

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)CC1=CC(=CC=C1)I

InChI

InChI=1S/C27H49INO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-34(30,31)33-23-21-29(2,3)25-26-19-18-20-27(28)24-26/h18-20,24H,4-17,21-23,25H2,1-3H3