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

Systemtic Name: 2,2-bis(1,2,2,6-tetramethyl-1-octadecyl-piperidin-1-ium-4-yl)decanedioic acid Openeye Name: 2,2-bis(1,2,2,6-tetramethyl-1-octadecyl-piperidin-1-ium-4-yl)decanedioic acid CAS Name: 2,2-bis(1,2,2,6-tetramethyl-1-octadecyl-4-piperidin-1-iumyl)decanedioic acid IUPAC Name: 2,2-bis(1,2,2,6-tetramethyl-1-octadecylpiperidin-1-ium-4-yl)decanedioic acid Traditional Name: 2,2-bis(1,2,2,6-tetramethyl-1-stearyl-piperidin-1-ium-4-yl)sebacic acid Formula: C64H126N2O4+2 MolecularWeight: 987.69624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H124N2O4/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-50-65(9)56(3)52-58(54-62(65,5)6)64(61(69)70,49-45-41-39-40-44-48-60(67)68)59-53-57(4)66(10,63(7,8)55-59)51-47-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h56-59H,11-55H2,1-10H3/p+2