dimethyl-octadecyl-(1-tridecanoyloxyethyl)azanium bromide

Systemtic Name: dimethyl-octadecyl-(1-tridecanoyloxyethyl)azanium bromide Openeye Name: dimethyl-octadecyl-(1-tridecanoyloxyethyl)ammonium bromide CAS Name: dimethyl-octadecyl-[1-(1-oxotridecoxy)ethyl]ammonium bromide IUPAC Name: dimethyl-octadecyl-(1-tridecanoyloxyethyl)azanium bromide Traditional Name: dimethyl-stearyl-(1-tridecanoyloxyethyl)ammonium bromide Formula: C35H72BrNO2 MolecularWeight: 618.85568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)OC(=O)CCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)OC(=O)CCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C35H72NO2.BrH/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-36(4,5)34(3)38-35(37)32-30-28-26-24-17-15-13-11-9-7-2;/h34H,6-33H2,1-5H3;1H/q+1;/p-1