3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl N-octadecylcarbamate

Systemtic Name: 3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl N-octadecylcarbamate Openeye Name: 3-(4-thiazol-3-ium-3-ylbutoxy)propyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid 3-[4-(3-thiazol-3-iumyl)butoxy]propyl ester IUPAC Name: 3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid 3-(4-thiazol-3-ium-3-ylbutoxy)propyl ester Formula: C29H55N2O3S+ MolecularWeight: 511.8236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOCCCC[N+]1=CSC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCCCOCCCC[N+]1=CSC=C1

InChI

InChI=1S/C29H54N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-29(32)34-26-20-25-33-24-19-18-22-31-23-27-35-28-31/h23,27-28H,2-22,24-26H2,1H3/p+1