4-[2-(dioxidanyl)-3-methyl-but-3-enoxy]-1-ethyl-pyridin-1-ium

Systemtic Name: 4-[2-(dioxidanyl)-3-methyl-but-3-enoxy]-1-ethyl-pyridin-1-ium Openeye Name: 1-ethyl-4-(2-hydroperoxy-3-methyl-but-3-enoxy)pyridin-1-ium CAS Name: 1-ethyl-4-(2-hydroperoxy-3-methylbut-3-enoxy)pyridin-1-ium IUPAC Name: 1-ethyl-4-(2-hydroperoxy-3-methylbut-3-enoxy)pyridin-1-ium Traditional Name: 1-ethyl-4-(2-hydroperoxy-3-methyl-but-3-enoxy)pyridin-1-ium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)OCC(C(=C)C)OO

Isomeric SMILES

CC[N+]1=CC=C(C=C1)OCC(C(=C)C)OO

InChI

InChI=1S/C12H17NO3/c1-4-13-7-5-11(6-8-13)15-9-12(16-14)10(2)3/h5-8,12H,2,4,9H2,1,3H3/p+1