(6-cyano-3-ethyl-4-methyl-6,6-diphenyl-hexan-3-yl)azanium iodide

Systemtic Name: (6-cyano-3-ethyl-4-methyl-6,6-diphenyl-hexan-3-yl)azanium iodide Openeye Name: (4-cyano-1,1-diethyl-2-methyl-4,4-diphenyl-butyl)ammonium iodide CAS Name: (6-cyano-3-ethyl-4-methyl-6,6-diphenylhexan-3-yl)ammonium iodide IUPAC Name: (6-cyano-3-ethyl-4-methyl-6,6-diphenylhexan-3-yl)azanium iodide Traditional Name: (4-cyano-1,1-diethyl-2-methyl-4,4-diphenyl-butyl)ammonium iodide Formula: C22H29IN2 MolecularWeight: 448.38353

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C)CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)[NH3+].[I-]

Isomeric SMILES

CCC(CC)(C(C)CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)[NH3+].[I-]

InChI

InChI=1S/C22H28N2.HI/c1-4-22(24,5-2)18(3)16-21(17-23,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16,24H2,1-3H3;1H