2-[2-(4-butan-2-ylphenyl)propanoyloxy]ethyl-dimethyl-octyl-azanium bromide

Systemtic Name: 2-[2-(4-butan-2-ylphenyl)propanoyloxy]ethyl-dimethyl-octyl-azanium bromide Openeye Name: dimethyl-octyl-[2-[2-(4-sec-butylphenyl)propanoyloxy]ethyl]ammonium bromide CAS Name: 2-[2-(4-butan-2-ylphenyl)-1-oxopropoxy]ethyl-dimethyl-octylammonium bromide IUPAC Name: 2-[2-(4-butan-2-ylphenyl)propanoyloxy]ethyl-dimethyl-octylazanium bromide Traditional Name: dimethyl-octyl-[2-[2-(4-sec-butylphenyl)propanoyloxy]ethyl]ammonium bromide Formula: C25H44BrNO2 MolecularWeight: 470.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44NO2.BrH/c1-7-9-10-11-12-13-18-26(5,6)19-20-28-25(27)22(4)24-16-14-23(15-17-24)21(3)8-2;/h14-17,21-22H,7-13,18-20H2,1-6H3;1H/q+1;/p-1