[3-(hexadecoxymethyl)oxetan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate

Systemtic Name: [3-(hexadecoxymethyl)oxetan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: [3-(hexadecoxymethyl)oxetan-3-yl]methyl 6-thiazol-3-ium-3-ylhexanoate CAS Name: 6-(3-thiazol-3-iumyl)hexanoic acid [3-(hexadecoxymethyl)-3-oxetanyl]methyl ester IUPAC Name: [3-(hexadecoxymethyl)oxetan-3-yl]methyl 6-(1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-thiazol-3-ium-3-ylhexanoic acid [3-(cetyloxymethyl)oxetan-3-yl]methyl ester Formula: C30H54NO4S+ MolecularWeight: 524.81906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1(COC1)COC(=O)CCCCC[N+]2=CSC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1(COC1)COC(=O)CCCCC[N+]2=CSC=C2

InChI

InChI=1S/C30H54NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-33-24-30(25-34-26-30)27-35-29(32)19-16-15-17-20-31-21-23-36-28-31/h21,23,28H,2-20,22,24-27H2,1H3/q+1