2-[1-(2-bromoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide

Systemtic Name: 2-[1-(2-bromoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Openeye Name: 2-[1-(2-bromoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide CAS Name: 2-[1-(2-bromoethyl)-4-pyridin-1-iumyl]-5-(4-methoxyphenyl)oxazole bromide IUPAC Name: 2-[1-(2-bromoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Traditional Name: 2-[1-(2-bromoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide Formula: C17H16Br2N2O2 MolecularWeight: 440.12914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCBr.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCBr.[Br-]

InChI

InChI=1S/C17H16BrN2O2.BrH/c1-21-15-4-2-13(3-5-15)16-12-19-17(22-16)14-6-9-20(10-7-14)11-8-18;/h2-7,9-10,12H,8,11H2,1H3;1H/q+1;/p-1