3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide

Systemtic Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide Openeye Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide CAS Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide IUPAC Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide Traditional Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(2,3,5,5-tetramethylhexyl)pyrrolidin-1-ium bromide Formula: C26H46BrN MolecularWeight: 452.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CC1C2=CC=C(C=C2)C(C)(C)C)(C)CC(C)C(C)CC(C)(C)C.[Br-]

Isomeric SMILES

CC1C[N+](CC1C2=CC=C(C=C2)C(C)(C)C)(C)CC(C)C(C)CC(C)(C)C.[Br-]

InChI

InChI=1S/C26H46N.BrH/c1-19(15-25(4,5)6)20(2)16-27(10)17-21(3)24(18-27)22-11-13-23(14-12-22)26(7,8)9;/h11-14,19-21,24H,15-18H2,1-10H3;1H/q+1;/p-1