(2S)-2-(dioxidanyl)-2-[(4-iodophenyl)methyl]-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-8-(phenylmethyl)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one

Systemtic Name: (2S)-2-(dioxidanyl)-2-[(4-iodophenyl)methyl]-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-8-(phenylmethyl)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Openeye Name: (2S)-8-benzyl-2-hydroperoxy-2-[(4-iodophenyl)methyl]-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one CAS Name: (2S)-2-hydroperoxy-2-[(4-iodophenyl)methyl]-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-8-(phenylmethyl)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one IUPAC Name: (2S)-8-benzyl-2-hydroperoxy-2-[(4-iodophenyl)methyl]-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Traditional Name: (2S)-8-benzyl-2-hydroperoxy-2-(4-iodobenzyl)-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Formula: C26H21IN3O4+ MolecularWeight: 566.36711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3NC(C(=O)[N+]3=CC(=C4C=CC(=O)C=C4)N2)(CC5=CC=C(C=C5)I)OO

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3N[C@@](C(=O)[N+]3=CC(=C4C=CC(=O)C=C4)N2)(CC5=CC=C(C=C5)I)OO

InChI

InChI=1S/C26H20IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,31,33H,14-15H2/p+1/t26-/m0/s1