2-[hexadecoxy(oxidanyl)phosphoryl]oxyethyl-[(3-iodanylphenyl)methyl]-dimethyl-azanium

Systemtic Name: 2-[hexadecoxy(oxidanyl)phosphoryl]oxyethyl-[(3-iodanylphenyl)methyl]-dimethyl-azanium Openeye Name: 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-[(3-iodophenyl)methyl]-dimethyl-ammonium CAS Name: 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-[(3-iodophenyl)methyl]-dimethylammonium IUPAC Name: 2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-[(3-iodophenyl)methyl]-dimethylazanium Traditional Name: 2-[cetyloxy(hydroxy)phosphoryl]oxyethyl-(3-iodobenzyl)-dimethyl-ammonium Formula: C27H50INO4P+ MolecularWeight: 610.568431

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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/p+1