dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]-tetradecyl-azanium bromide

Systemtic Name: dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]-tetradecyl-azanium bromide Openeye Name: dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]-tetradecyl-ammonium bromide CAS Name: dimethyl-[2-(1-oxo-15-phenylpentadecoxy)ethyl]-tetradecylammonium bromide IUPAC Name: dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]-tetradecylazanium bromide Traditional Name: dimethyl-myristyl-[2-(15-phenylpentadecanoyloxy)ethyl]ammonium bromide Formula: C39H72BrNO2 MolecularWeight: 666.89848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C39H72NO2.BrH/c1-4-5-6-7-8-9-10-15-18-21-24-30-35-40(2,3)36-37-42-39(41)34-29-23-20-17-14-12-11-13-16-19-22-26-31-38-32-27-25-28-33-38;/h25,27-28,32-33H,4-24,26,29-31,34-37H2,1-3H3;1H/q+1;/p-1