1,3-di(morpholin-4-ium-4-yl)propan-2-yl octadecanoate dichloride

Systemtic Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl octadecanoate dichloride Openeye Name: [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] octadecanoate dichloride CAS Name: octadecanoic acid 1,3-bis(4-morpholin-4-iumyl)propan-2-yl ester dichloride IUPAC Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl octadecanoate dichloride Traditional Name: stearic acid [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] ester dichloride Formula: C29H58Cl2N2O4 MolecularWeight: 569.68782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCOCC1)C[NH+]2CCOCC2.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCOCC1)C[NH+]2CCOCC2.[Cl-].[Cl-]

InChI

InChI=1S/C29H56N2O4.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)35-28(26-30-18-22-33-23-19-30)27-31-20-24-34-25-21-31;;/h28H,2-27H2,1H3;2*1H