(3R)-N-[(4-tert-butylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-[(4-tert-butylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-[(4-tert-butylphenyl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3R)-N-[(4-tert-butylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-[(4-tert-butylphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (4-tert-butylbenzyl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C18H29N2+ MolecularWeight: 273.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2C[NH+]3CCC2CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C18H28N2/c1-18(2,3)16-6-4-14(5-7-16)12-19-17-13-20-10-8-15(17)9-11-20/h4-7,15,17,19H,8-13H2,1-3H3/p+1/t17-/m0/s1