3-[6-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[6-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Openeye Name: 3-[6-[[4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium CAS Name: 3-[6-[[4-(hexadecoxymethyl)-2-oxolanyl]methoxy]hexyl]thiazol-3-ium IUPAC Name: 3-[6-[[4-(hexadecoxymethyl)oxolan-2-yl]methoxy]hexyl]-1,3-thiazol-3-ium Traditional Name: 3-[6-[[4-(cetyloxymethyl)tetrahydrofuran-2-yl]methoxy]hexyl]thiazol-3-ium Formula: C31H58NO3S+ MolecularWeight: 524.86212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COCCCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COCCCCCC[N+]2=CSC=C2

InChI

InChI=1S/C31H58NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-22-33-26-30-25-31(35-27-30)28-34-23-19-16-14-17-20-32-21-24-36-29-32/h21,24,29-31H,2-20,22-23,25-28H2,1H3/q+1