trimethyl-[2-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]carbonyloxy]ethyl]azanium bromide

Systemtic Name: trimethyl-[2-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]carbonyloxy]ethyl]azanium bromide Openeye Name: trimethyl-[2-[3-(2,4,6-trimethylphenyl)isoxazole-4-carbonyl]oxyethyl]ammonium bromide CAS Name: trimethyl-[2-[oxo-[3-(2,4,6-trimethylphenyl)-4-isoxazolyl]methoxy]ethyl]ammonium bromide IUPAC Name: trimethyl-[2-[3-(2,4,6-trimethylphenyl)-1,2-oxazole-4-carbonyl]oxyethyl]azanium bromide Traditional Name: 2-(3-mesitylisoxazole-4-carbonyl)oxyethyl-trimethyl-ammonium bromide Formula: C18H25BrN2O3 MolecularWeight: 397.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC=C2C(=O)OCC[N+](C)(C)C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC=C2C(=O)OCC[N+](C)(C)C)C.[Br-]

InChI

InChI=1S/C18H25N2O3.BrH/c1-12-9-13(2)16(14(3)10-12)17-15(11-23-19-17)18(21)22-8-7-20(4,5)6;/h9-11H,7-8H2,1-6H3;1H/q+1;/p-1