(4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-di(propan-2-yl)azanium

Systemtic Name: (4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-di(propan-2-yl)azanium Openeye Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-diisopropyl-ammonium CAS Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-di(propan-2-yl)ammonium IUPAC Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-di(propan-2-yl)azanium Traditional Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-diisopropyl-ammonium Formula: C22H34NO+ MolecularWeight: 328.51146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC#CC(C1CCCCC1)(C2=CC=CC=C2)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC#CC(C1CCCCC1)(C2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C22H33NO/c1-18(2)23(19(3)4)17-11-16-22(24,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5,7-8,12-13,18-19,21,24H,6,9-10,14-15,17H2,1-4H3/p+1