2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-(phenylmethyl)azanium iodide

Systemtic Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-(phenylmethyl)azanium iodide Openeye Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-ammonium iodide CAS Name: 2,3-bis[(E)-octadec-9-enoxy]propyl-dimethyl-(phenylmethyl)ammonium iodide IUPAC Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethylazanium iodide Traditional Name: benzyl-[2,3-bis[(E)-octadec-9-enoxy]propyl]-dimethyl-ammonium iodide Formula: C48H88INO2 MolecularWeight: 838.12229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H88NO2.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-42-50-46-48(45-49(3,4)44-47-40-36-35-37-41-47)51-43-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22,35-37,40-41,48H,5-18,23-34,38-39,42-46H2,1-4H3;1H/q+1;/p-1/b21-19+,22-20+;