3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide

Systemtic Name: 3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide Openeye Name: 3-methyl-5-(1-propylpyridin-1-ium-4-yl)isoxazole bromide CAS Name: 3-methyl-5-(1-propyl-4-pyridin-1-iumyl)isoxazole bromide IUPAC Name: 3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole bromide Traditional Name: 3-methyl-5-(1-propylpyridin-1-ium-4-yl)isoxazole bromide Formula: C12H15BrN2O MolecularWeight: 283.1643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2=CC(=NO2)C.[Br-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2=CC(=NO2)C.[Br-]

InChI

InChI=1S/C12H15N2O.BrH/c1-3-6-14-7-4-11(5-8-14)12-9-10(2)13-15-12;/h4-5,7-9H,3,6H2,1-2H3;1H/q+1;/p-1