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

Systemtic Name: 2-[1-(5-bromanylpentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Openeye Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide CAS Name: 2-[1-(5-bromopentyl)-4-pyridin-1-iumyl]-5-(4-methoxyphenyl)oxazole bromide IUPAC Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Traditional Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide Formula: C20H22Br2N2O2 MolecularWeight: 482.20888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN2O2.BrH/c1-24-18-7-5-16(6-8-18)19-15-22-20(25-19)17-9-13-23(14-10-17)12-4-2-3-11-21;/h5-10,13-15H,2-4,11-12H2,1H3;1H/q+1;/p-1