[2,3-dioctyl-4-(phenylmethyl)phenyl]azanium iodide

Systemtic Name: [2,3-dioctyl-4-(phenylmethyl)phenyl]azanium iodide Openeye Name: (4-benzyl-2,3-dioctyl-phenyl)ammonium iodide CAS Name: [2,3-dioctyl-4-(phenylmethyl)phenyl]ammonium iodide IUPAC Name: (4-benzyl-2,3-dioctylphenyl)azanium iodide Traditional Name: (4-benzyl-2,3-dioctyl-phenyl)ammonium iodide Formula: C29H46IN MolecularWeight: 535.58671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1CCCCCCCC)[NH3+])CC2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1CCCCCCCC)[NH3+])CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C29H45N.HI/c1-3-5-7-9-11-16-20-27-26(24-25-18-14-13-15-19-25)22-23-29(30)28(27)21-17-12-10-8-6-4-2;/h13-15,18-19,22-23H,3-12,16-17,20-21,24,30H2,1-2H3;1H