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

Systemtic Name: 4-[[2-(dioxidanyl)-3-methyl-but-3-enoxy]methyl]-1-ethyl-pyridin-1-ium Openeye Name: 1-ethyl-4-[(2-hydroperoxy-3-methyl-but-3-enoxy)methyl]pyridin-1-ium CAS Name: 1-ethyl-4-[(2-hydroperoxy-3-methylbut-3-enoxy)methyl]pyridin-1-ium IUPAC Name: 1-ethyl-4-[(2-hydroperoxy-3-methylbut-3-enoxy)methyl]pyridin-1-ium Traditional Name: 1-ethyl-4-[(2-hydroperoxy-3-methyl-but-3-enoxy)methyl]pyridin-1-ium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-4-14-7-5-12(6-8-14)9-16-10-13(17-15)11(2)3/h5-8,13H,2,4,9-10H2,1,3H3/p+1