5-(hexadecoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide

Systemtic Name: 5-(hexadecoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide Openeye Name: 5-(hexadecoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)oxazolidin-2-one bromide CAS Name: 5-(hexadecoxymethyl)-3-[4-(1-pyridin-1-iumyl)butyl]-2-oxazolidinone bromide IUPAC Name: 5-(hexadecoxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)-1,3-oxazolidin-2-one bromide Traditional Name: 5-(cetyloxymethyl)-3-(4-pyridin-1-ium-1-ylbutyl)oxazolidin-2-one bromide Formula: C29H51BrN2O3 MolecularWeight: 555.63084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51N2O3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-33-27-28-26-31(29(32)34-28)24-19-18-23-30-21-16-15-17-22-30;/h15-17,21-22,28H,2-14,18-20,23-27H2,1H3;1H/q+1;/p-1