[2-methoxy-2-methyl-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: [2-methoxy-2-methyl-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-methyl-N-octadecyl-carbamate Openeye Name: [2-methoxy-2-methyl-3-(4-thiazol-3-ium-3-ylbutoxy)propyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methoxy-2-methyl-3-[4-(3-thiazol-3-iumyl)butoxy]propyl] ester IUPAC Name: [2-methoxy-2-methyl-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methoxy-2-methyl-3-(4-thiazol-3-ium-3-ylbutoxy)propyl] ester Formula: C32H61N2O4S+ MolecularWeight: 569.90274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCC[N+]1=CSC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCC[N+]1=CSC=C1)OC

InChI

InChI=1S/C32H61N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33(3)31(35)38-29-32(2,36-4)28-37-26-22-21-24-34-25-27-39-30-34/h25,27,30H,5-24,26,28-29H2,1-4H3/q+1