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

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methyl-1,3-thiazol-3-ium-3-yl)hexanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methylthiazol-3-ium-3-yl)hexanoate CAS Name: 6-(4-methyl-3-thiazol-3-iumyl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-(4-methyl-1,3-thiazol-3-ium-3-yl)hexanoate Traditional Name: 6-(4-methylthiazol-3-ium-3-yl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C31H56NO4S+ MolecularWeight: 538.84564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CSC=C2C

InChI

InChI=1S/C31H56NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-35-25-29(36-31)24-34-30(33)21-18-17-20-23-32-27-37-26-28(32)2/h26-27,29,31H,3-25H2,1-2H3/q+1