2-butoxy-5-(phenylsulfonyl)-2,5-dihydropyrrol-1-ium 1-oxide

Systemtic Name: 2-butoxy-5-(phenylsulfonyl)-2,5-dihydropyrrol-1-ium 1-oxide Openeye Name: 2-(benzenesulfonyl)-5-butoxy-2,5-dihydropyrrol-1-ium 1-oxide CAS Name: 2-(benzenesulfonyl)-5-butoxy-2,5-dihydropyrrol-1-ium 1-oxide IUPAC Name: 2-(benzenesulfonyl)-5-butoxy-2,5-dihydropyrrol-1-ium 1-oxide Traditional Name: 2-besyl-5-butoxy-3-pyrrolin-1-ium 1-oxide Formula: C14H18NO4S+ MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C=CC([N+]1=O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1C=CC([N+]1=O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18NO4S/c1-2-3-11-19-13-9-10-14(15(13)16)20(17,18)12-7-5-4-6-8-12/h4-10,13-14H,2-3,11H2,1H3/q+1