1-adamantyl-(4-cyano-4,4-diphenyl-butyl)azanium chloride

Systemtic Name: 1-adamantyl-(4-cyano-4,4-diphenyl-butyl)azanium chloride Openeye Name: 1-adamantyl-(4-cyano-4,4-diphenyl-butyl)ammonium chloride CAS Name: 1-adamantyl-(4-cyano-4,4-diphenylbutyl)ammonium chloride IUPAC Name: 1-adamantyl-(4-cyano-4,4-diphenylbutyl)azanium chloride Traditional Name: 1-adamantyl-(4-cyano-4,4-diphenyl-butyl)ammonium chloride Formula: C27H33ClN2 MolecularWeight: 421.01732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C27H32N2.ClH/c28-20-27(24-8-3-1-4-9-24,25-10-5-2-6-11-25)12-7-13-29-26-17-21-14-22(18-26)16-23(15-21)19-26;/h1-6,8-11,21-23,29H,7,12-19H2;1H