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diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide

diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide

Systemtic Name:diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide
Openeye Name:diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]ammonium bromide
CAS Name:diethyl-methyl-[2-(1-oxo-15-phenylpentadecoxy)ethyl]ammonium bromide
IUPAC Name:diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]azanium bromide
Traditional Name:diethyl-methyl-[2-(15-phenylpentadecanoyloxy)ethyl]ammonium bromide
Formula: C28H50BrNO2
MolecularWeight: 512.6061
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H50NO2.BrH/c1-4-29(3,5-2)25-26-31-28(30)24-20-15-13-11-9-7-6-8-10-12-14-17-21-27-22-18-16-19-23-27;/h16,18-19,22-23H,4-15,17,20-21,24-26H2,1-3H3;1H/q+1;/p-1


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