2,3-bis[(E)-octadec-9-enoxy]propyl-bis(5-methyl-2-propan-2-yl-cyclohexyl)-(phenylmethyl)azanium iodide

Systemtic Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-bis(5-methyl-2-propan-2-yl-cyclohexyl)-(phenylmethyl)azanium iodide Openeye Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-bis(2-isopropyl-5-methyl-cyclohexyl)ammonium iodide CAS Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-bis(5-methyl-2-propan-2-ylcyclohexyl)-(phenylmethyl)ammonium iodide IUPAC Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-bis(5-methyl-2-propan-2-ylcyclohexyl)azanium iodide Traditional Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-bis(2-isopropyl-5-methyl-cyclohexyl)ammonium iodide Formula: C66H120INO2 MolecularWeight: 1086.56897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C[N+](CC1=CC=CC=C1)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C)OCCCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](CC1=CC=CC=C1)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C)OCCCCCCCC/C=C/CCCCCCCC.[I-]

InChI

InChI=1S/C66H120NO2.HI/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-50-68-56-62(69-51-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)55-67(54-61-44-40-39-41-45-61,65-52-59(7)46-48-63(65)57(3)4)66-53-60(8)47-49-64(66)58(5)6;/h23-26,39-41,44-45,57-60,62-66H,9-22,27-38,42-43,46-56H2,1-8H3;1H/q+1;/p-1/b25-23+,26-24+;