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

Systemtic Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl dodecanoate dichloride hydrate Openeye Name: [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] dodecanoate dichloride hydrate CAS Name: dodecanoic acid 1,3-bis(1-piperidin-1-iumyl)propan-2-yl ester dichloride hydrate IUPAC Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl dodecanoate dichloride hydrate Traditional Name: lauric acid [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester dichloride hydrate Formula: C25H52Cl2N2O3 MolecularWeight: 499.59798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2O2.2ClH.H2O/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;2*1H;1H2