2,2-bis(1,2,2,6-tetramethyl-1-octyl-piperidin-1-ium-4-yl)decanedioic acid

Systemtic Name: 2,2-bis(1,2,2,6-tetramethyl-1-octyl-piperidin-1-ium-4-yl)decanedioic acid Openeye Name: 2,2-bis(1,2,2,6-tetramethyl-1-octyl-piperidin-1-ium-4-yl)decanedioic acid CAS Name: 2,2-bis(1,2,2,6-tetramethyl-1-octyl-4-piperidin-1-iumyl)decanedioic acid IUPAC Name: 2,2-bis(1,2,2,6-tetramethyl-1-octylpiperidin-1-ium-4-yl)decanedioic acid Traditional Name: 2,2-bis(1,2,2,6-tetramethyl-1-octyl-piperidin-1-ium-4-yl)sebacic acid Formula: C44H86N2O4+2 MolecularWeight: 707.16464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(CC(CC1(C)C)C(CCCCCCCC(=O)O)(C2CC([N+](C(C2)(C)C)(C)CCCCCCCC)C)C(=O)O)C)C

Isomeric SMILES

CCCCCCCC[N+]1(C(CC(CC1(C)C)C(CCCCCCCC(=O)O)(C2CC([N+](C(C2)(C)C)(C)CCCCCCCC)C)C(=O)O)C)C

InChI

InChI=1S/C44H84N2O4/c1-11-13-15-17-22-26-30-45(9)36(3)32-38(34-42(45,5)6)44(41(49)50,29-25-21-19-20-24-28-40(47)48)39-33-37(4)46(10,43(7,8)35-39)31-27-23-18-16-14-12-2/h36-39H,11-35H2,1-10H3/p+2