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

Systemtic Name: (2S)-8-(cyclopentylmethyl)-2-[(4-hydroxyphenyl)methyl]-2-oxidanyl-6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Openeye Name: (2S)-8-(cyclopentylmethyl)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one CAS Name: (2S)-8-(cyclopentylmethyl)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one IUPAC Name: (2S)-8-(cyclopentylmethyl)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Traditional Name: (2S)-8-(cyclopentylmethyl)-2-hydroxy-2-(4-hydroxybenzyl)-6-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,7-dihydroimidazo[1,2-a]pyrazin-4-ium-3-one Formula: C25H26N3O4+ MolecularWeight: 432.49164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=C3NC(C(=O)[N+]3=CC(=C4C=CC(=O)C=C4)N2)(CC5=CC=C(C=C5)O)O

Isomeric SMILES

C1CCC(C1)CC2=C3N[C@@](C(=O)[N+]3=CC(=C4C=CC(=O)C=C4)N2)(CC5=CC=C(C=C5)O)O

InChI

InChI=1S/C25H25N3O4/c29-19-9-5-17(6-10-19)14-25(32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,29-30,32H,1-4,13-14H2/p+1/t25-/m0/s1