dibutyl-methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium iodide

Systemtic Name: dibutyl-methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium iodide Openeye Name: dibutyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methyl-ammonium iodide CAS Name: dibutyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylammonium iodide IUPAC Name: dibutyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium iodide Traditional Name: dibutyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methyl-ammonium iodide Formula: C25H38INO2 MolecularWeight: 511.47919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

CCCC[N+](C)(CCCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C25H38NO2.HI/c1-4-6-18-26(3,19-7-5-2)20-13-21-28-24-17-12-11-16-23(24)25(27)22-14-9-8-10-15-22;/h8-12,14-17,25,27H,4-7,13,18-21H2,1-3H3;1H/q+1;/p-1