1,3-di(piperidin-1-ium-1-yl)propan-2-yl dodecanoate

Systemtic Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl dodecanoate Openeye Name: [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] dodecanoate CAS Name: dodecanoic acid 1,3-bis(1-piperidin-1-iumyl)propan-2-yl ester IUPAC Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl dodecanoate Traditional Name: lauric acid [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester Formula: C25H50N2O2+2 MolecularWeight: 410.6767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)C[NH+]2CCCCC2

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)C[NH+]2CCCCC2

InChI

InChI=1S/C25H48N2O2/c1-2-3-4-5-6-7-8-9-12-17-25(28)29-24(22-26-18-13-10-14-19-26)23-27-20-15-11-16-21-27/h24H,2-23H2,1H3/p+2