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

Systemtic Name: dodecyl-dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide Openeye Name: dodecyl-dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]ammonium bromide CAS Name: dodecyl-dimethyl-[2-(1-oxo-15-phenylpentadecoxy)ethyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide Traditional Name: lauryl-dimethyl-[2-(15-phenylpentadecanoyloxy)ethyl]ammonium bromide Formula: C37H68BrNO2 MolecularWeight: 638.84532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO2.BrH/c1-4-5-6-7-8-9-16-19-22-28-33-38(2,3)34-35-40-37(39)32-27-21-18-15-13-11-10-12-14-17-20-24-29-36-30-25-23-26-31-36;/h23,25-26,30-31H,4-22,24,27-29,32-35H2,1-3H3;1H/q+1;/p-1