1-azoniabicyclo[2.2.2]octan-1-ylmethyl ditert-butyl phosphate

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ditert-butyl phosphate Openeye Name: ditert-butyl quinuclidin-1-ium-1-ylmethyl phosphate CAS Name: phosphoric acid 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ditert-butyl ester IUPAC Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ditert-butyl phosphate Traditional Name: phosphoric acid ditert-butyl quinuclidin-1-ium-1-ylmethyl ester Formula: C16H33NO4P+ MolecularWeight: 334.411281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(OC[N+]12CCC(CC1)CC2)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OP(=O)(OC[N+]12CCC(CC1)CC2)OC(C)(C)C

InChI

InChI=1S/C16H33NO4P/c1-15(2,3)20-22(18,21-16(4,5)6)19-13-17-10-7-14(8-11-17)9-12-17/h14H,7-13H2,1-6H3/q+1