1,3-bis(azepan-1-ium-1-yl)propan-2-yl hexadecanoate

Systemtic Name: 1,3-bis(azepan-1-ium-1-yl)propan-2-yl hexadecanoate Openeye Name: [2-(azepan-1-ium-1-yl)-1-(azepan-1-ium-1-ylmethyl)ethyl] hexadecanoate CAS Name: hexadecanoic acid 1,3-bis(1-azepan-1-iumyl)propan-2-yl ester IUPAC Name: 1,3-bis(azepan-1-ium-1-yl)propan-2-yl hexadecanoate Traditional Name: palmitic acid [2-(azepan-1-ium-1-yl)-1-(azepan-1-ium-1-ylmethyl)ethyl] ester Formula: C31H62N2O2+2 MolecularWeight: 494.83618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCCCCC1)C[NH+]2CCCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C[NH+]1CCCCCC1)C[NH+]2CCCCCC2

InChI

InChI=1S/C31H60N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-31(34)35-30(28-32-24-19-14-15-20-25-32)29-33-26-21-16-17-22-27-33/h30H,2-29H2,1H3/p+2