1-[(E)-4-bromanylbut-2-enyl]-1,3-dihydroisoindol-2-ium 2-oxide

Systemtic Name: 1-[(E)-4-bromanylbut-2-enyl]-1,3-dihydroisoindol-2-ium 2-oxide Openeye Name: 1-[(E)-4-bromobut-2-enyl]isoindolin-2-ium 2-oxide CAS Name: 1-[(E)-4-bromobut-2-enyl]-1,3-dihydroisoindol-2-ium 2-oxide IUPAC Name: 1-[(E)-4-bromobut-2-enyl]-1,3-dihydroisoindol-2-ium 2-oxide Traditional Name: 1-[(E)-4-bromobut-2-enyl]isoindolin-2-ium 2-oxide Formula: C12H13BrNO+ MolecularWeight: 267.14172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C([N+]1=O)CC=CCBr

Isomeric SMILES

C1C2=CC=CC=C2C([N+]1=O)C/C=C/CBr

InChI

InChI=1S/C12H13BrNO/c13-8-4-3-7-12-11-6-2-1-5-10(11)9-14(12)15/h1-6,12H,7-9H2/q+1/b4-3+