(6-cyano-2-methyl-6,6-diphenyl-3-propan-2-yl-hexan-3-yl)azanium iodide

Systemtic Name: (6-cyano-2-methyl-6,6-diphenyl-3-propan-2-yl-hexan-3-yl)azanium iodide Openeye Name: (4-cyano-1,1-diisopropyl-4,4-diphenyl-butyl)ammonium iodide CAS Name: (6-cyano-2-methyl-6,6-diphenyl-3-propan-2-ylhexan-3-yl)ammonium iodide IUPAC Name: (6-cyano-2-methyl-6,6-diphenyl-3-propan-2-ylhexan-3-yl)azanium iodide Traditional Name: (4-cyano-1,1-diisopropyl-4,4-diphenyl-butyl)ammonium iodide Formula: C23H31IN2 MolecularWeight: 462.41011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2.HI/c1-18(2)23(25,19(3)4)16-15-22(17-24,20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,18-19H,15-16,25H2,1-4H3;1H