(2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-(7-thiazol-3-ium-3-ylheptyl)carbamate CAS Name: N-[7-(3-thiazol-3-iumyl)heptyl]carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[7-(1,3-thiazol-3-ium-3-yl)heptyl]carbamate Traditional Name: N-(7-thiazol-3-ium-3-ylheptyl)carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C32H59N2O4S+ MolecularWeight: 567.88686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-31-36-27-30(38-31)28-37-32(35)33-23-20-17-15-18-21-24-34-25-26-39-29-34/h25-26,29-31H,2-24,27-28H2,1H3/p+1