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

Systemtic Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl octadecanoate Openeye Name: [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] octadecanoate CAS Name: octadecanoic acid 1,3-bis(4-morpholin-4-iumyl)propan-2-yl ester IUPAC Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl octadecanoate Traditional Name: stearic acid [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] ester Formula: C29H58N2O4+2 MolecularWeight: 498.78182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56N2O4/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/p+2