3-[4-[[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[4-[[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]-1,3-thiazol-3-ium Openeye Name: 3-[4-[[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]thiazol-3-ium CAS Name: 3-[4-[[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]thiazol-3-ium IUPAC Name: 3-[4-[[2-(hexadecoxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]-1,3-thiazol-3-ium Traditional Name: 3-[4-[[2-(cetyloxymethyl)-1,3-dioxolan-4-yl]methoxy]butyl]thiazol-3-ium Formula: C28H52NO4S+ MolecularWeight: 498.78178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1OCC(O1)COCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1OCC(O1)COCCCC[N+]2=CSC=C2

InChI

InChI=1S/C28H52NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-31-25-28-32-24-27(33-28)23-30-21-17-15-18-29-19-22-34-26-29/h19,22,26-28H,2-18,20-21,23-25H2,1H3/q+1