(2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-(6-thiazol-3-ium-3-ylhexyl)carbamate CAS Name: N-[6-(3-thiazol-3-iumyl)hexyl]carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl N-[6-(1,3-thiazol-3-ium-3-yl)hexyl]carbamate Traditional Name: N-(6-thiazol-3-ium-3-ylhexyl)carbamic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C31H57N2O4S+ MolecularWeight: 553.86028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N2O4S/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(34)32-22-19-16-17-20-23-33-24-25-38-28-33/h24-25,28-30H,2-23,26-27H2,1H3/p+1