(6,6-dimethyl-5-oxidanyl-5-phenyl-hept-2-ynyl)-di(propan-2-yl)azanium

Systemtic Name: (6,6-dimethyl-5-oxidanyl-5-phenyl-hept-2-ynyl)-di(propan-2-yl)azanium Openeye Name: (5-hydroxy-6,6-dimethyl-5-phenyl-hept-2-ynyl)-diisopropyl-ammonium CAS Name: (5-hydroxy-6,6-dimethyl-5-phenylhept-2-ynyl)-di(propan-2-yl)ammonium IUPAC Name: (5-hydroxy-6,6-dimethyl-5-phenylhept-2-ynyl)-di(propan-2-yl)azanium Traditional Name: (5-hydroxy-6,6-dimethyl-5-phenyl-hept-2-ynyl)-diisopropyl-ammonium Formula: C21H34NO+ MolecularWeight: 316.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC#CCC(C1=CC=CC=C1)(C(C)(C)C)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC#CCC(C1=CC=CC=C1)(C(C)(C)C)O)C(C)C

InChI

InChI=1S/C21H33NO/c1-17(2)22(18(3)4)16-12-11-15-21(23,20(5,6)7)19-13-9-8-10-14-19/h8-10,13-14,17-18,23H,15-16H2,1-7H3/p+1