(4-cyano-4,4-diphenyl-butan-2-yl)-diethyl-methyl-azanium iodide

Systemtic Name: (4-cyano-4,4-diphenyl-butan-2-yl)-diethyl-methyl-azanium iodide Openeye Name: (3-cyano-1-methyl-3,3-diphenyl-propyl)-diethyl-methyl-ammonium iodide CAS Name: (4-cyano-4,4-diphenylbutan-2-yl)-diethyl-methylammonium iodide IUPAC Name: (4-cyano-4,4-diphenylbutan-2-yl)-diethyl-methylazanium iodide Traditional Name: (3-cyano-1-methyl-3,3-diphenyl-propyl)-diethyl-methyl-ammonium iodide Formula: C22H29IN2 MolecularWeight: 448.38353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N2.HI/c1-5-24(4,6-2)19(3)17-22(18-23,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,19H,5-6,17H2,1-4H3;1H/q+1;/p-1