tridodecyl-(phenylmethyl)azanium iodide

Systemtic Name: tridodecyl-(phenylmethyl)azanium iodide Openeye Name: benzyl(tridodecyl)ammonium iodide CAS Name: tridodecyl-(phenylmethyl)ammonium iodide IUPAC Name: benzyl(tridodecyl)azanium iodide Traditional Name: benzyl(trilauryl)ammonium iodide Formula: C43H82IN MolecularWeight: 740.02235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CC1=CC=CC=C1.[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CC1=CC=CC=C1.[I-]

InChI

InChI=1S/C43H82N.HI/c1-4-7-10-13-16-19-22-25-28-34-39-44(42-43-37-32-31-33-38-43,40-35-29-26-23-20-17-14-11-8-5-2)41-36-30-27-24-21-18-15-12-9-6-3;/h31-33,37-38H,4-30,34-36,39-42H2,1-3H3;1H/q+1;/p-1