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

Systemtic Name: [2-methoxy-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-octadecylcarbamate bromide Openeye Name: [2-methoxy-3-(4-thiazol-3-ium-3-ylbutoxy)propyl] N-octadecylcarbamate bromide CAS Name: N-octadecylcarbamic acid [2-methoxy-3-[4-(3-thiazol-3-iumyl)butoxy]propyl] ester bromide IUPAC Name: [2-methoxy-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propyl] N-octadecylcarbamate bromide Traditional Name: N-stearylcarbamic acid [2-methoxy-3-(4-thiazol-3-ium-3-ylbutoxy)propyl] ester bromide Formula: C30H57BrN2O4S MolecularWeight: 621.75358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCC[N+]1=CSC=C1)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCC[N+]1=CSC=C1)OC.[Br-]

InChI

InChI=1S/C30H56N2O4S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-30(33)36-27-29(34-2)26-35-24-20-19-22-32-23-25-37-28-32;/h23,25,28-29H,3-22,24,26-27H2,1-2H3;1H