(2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-thiazol-3-ium-3-ylhexyl carbonate CAS Name: carbonic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(3-thiazol-3-iumyl)hexyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(1,3-thiazol-3-ium-3-yl)hexyl carbonate Traditional Name: carbonic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-thiazol-3-ium-3-ylhexyl ester Formula: C31H56NO5S+ MolecularWeight: 554.84504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)OCCCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)OCCCCCC[N+]2=CSC=C2

InChI

InChI=1S/C31H56NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-35-26-29(37-30)27-36-31(33)34-24-20-17-16-19-22-32-23-25-38-28-32/h23,25,28-30H,2-22,24,26-27H2,1H3/q+1