5-(hexadecoxymethyl)-3-[6-(1,3-thiazol-3-ium-3-yl)hexyl]-1,3-oxazolidin-2-one bromide

Systemtic Name: 5-(hexadecoxymethyl)-3-[6-(1,3-thiazol-3-ium-3-yl)hexyl]-1,3-oxazolidin-2-one bromide Openeye Name: 5-(hexadecoxymethyl)-3-(6-thiazol-3-ium-3-ylhexyl)oxazolidin-2-one bromide CAS Name: 5-(hexadecoxymethyl)-3-[6-(3-thiazol-3-iumyl)hexyl]-2-oxazolidinone bromide IUPAC Name: 5-(hexadecoxymethyl)-3-[6-(1,3-thiazol-3-ium-3-yl)hexyl]-1,3-oxazolidin-2-one bromide Traditional Name: 5-(cetyloxymethyl)-3-(6-thiazol-3-ium-3-ylhexyl)oxazolidin-2-one bromide Formula: C29H53BrN2O3S MolecularWeight: 589.71172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CN(C(=O)O1)CCCCCC[N+]2=CSC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CN(C(=O)O1)CCCCCC[N+]2=CSC=C2.[Br-]

InChI

InChI=1S/C29H53N2O3S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23-33-26-28-25-31(29(32)34-28)21-18-15-14-17-20-30-22-24-35-27-30;/h22,24,27-28H,2-21,23,25-26H2,1H3;1H/q+1;/p-1