bis[(2R)-1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl] hexanedioate

Systemtic Name: bis[(2R)-1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl] hexanedioate Openeye Name: bis[(1R)-1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl] hexanedioate CAS Name: hexanedioic acid bis[(2R)-1-(1-methyl-1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: bis[(2R)-1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl] hexanedioate Traditional Name: adipic acid bis[(1R)-1-methyl-2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C24H46N2O4+2 MolecularWeight: 426.63304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCC1)C)OC(=O)CCCCC(=O)OC(C)C[N+]2(CCCCC2)C

Isomeric SMILES

C[C@H](C[N+]1(CCCCC1)C)OC(=O)CCCCC(=O)O[C@H](C)C[N+]2(CCCCC2)C

InChI

InChI=1S/C24H46N2O4/c1-21(19-25(3)15-9-5-10-16-25)29-23(27)13-7-8-14-24(28)30-22(2)20-26(4)17-11-6-12-18-26/h21-22H,5-20H2,1-4H3/q+2/t21-,22-/m1/s1