[2-methyl-2-[7-(1,3-thiazol-3-ium-3-yl)heptoxymethyl]butyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: [2-methyl-2-[7-(1,3-thiazol-3-ium-3-yl)heptoxymethyl]butyl] N-methyl-N-octadecyl-carbamate Openeye Name: [2-methyl-2-(7-thiazol-3-ium-3-ylheptoxymethyl)butyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methyl-2-[7-(3-thiazol-3-iumyl)heptoxymethyl]butyl] ester IUPAC Name: [2-methyl-2-[7-(1,3-thiazol-3-ium-3-yl)heptoxymethyl]butyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methyl-2-(7-thiazol-3-ium-3-ylheptoxymethyl)butyl] ester Formula: C36H69N2O3S+ MolecularWeight: 610.00966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(CC)COCCCCCCC[N+]1=CSC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(CC)COCCCCCCC[N+]1=CSC=C1

InChI

InChI=1S/C36H69N2O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27-37(4)35(39)41-33-36(3,6-2)32-40-30-26-23-20-22-25-28-38-29-31-42-34-38/h29,31,34H,5-28,30,32-33H2,1-4H3/q+1