2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]-1,3-oxazole

Systemtic Name: 2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]-1,3-oxazole Openeye Name: 2-chroman-6-yl-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]oxazole CAS Name: 2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-[1-(2-oxiranylmethyl)-4-pyridin-1-iumyl]oxazole IUPAC Name: 2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(oxiran-2-ylmethyl)pyridin-1-ium-4-yl]-1,3-oxazole Traditional Name: 2-chroman-6-yl-5-(1-glycidylpyridin-1-ium-4-yl)oxazole Formula: C20H19N2O3+ MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5CO5)OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5CO5)OC1

InChI

InChI=1S/C20H19N2O3/c1-2-15-10-16(3-4-18(15)23-9-1)20-21-11-19(25-20)14-5-7-22(8-6-14)12-17-13-24-17/h3-8,10-11,17H,1-2,9,12-13H2/q+1