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

Systemtic Name: 2-[1-(5-bromanylpentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole CAS Name: 2-[1-(5-bromopentyl)-4-pyridin-1-iumyl]-5-(4-methoxyphenyl)oxazole IUPAC Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 2-[1-(5-bromopentyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN2O2/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/q+1