2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 1-oxidanidyl-4-oxidanyl-3-oxidanylidene-quinoxalin-1-ium-2-carbonitrile

Systemtic Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 1-oxidanidyl-4-oxidanyl-3-oxidanylidene-quinoxalin-1-ium-2-carbonitrile Openeye Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 4-hydroxy-1-oxido-3-oxo-quinoxalin-1-ium-2-carbonitrile CAS Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 4-hydroxy-1-oxido-3-oxo-2-quinoxalin-1-iumcarbonitrile IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile Traditional Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine; 4-hydroxy-3-keto-1-oxido-quinoxalin-1-ium-2-carbonitrile Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NCCCN2C1.C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C#N)O

Isomeric SMILES

C1CC2=NCCCN2C1.C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C#N)O

InChI

InChI=1S/C9H5N3O3.C7H12N2/c10-5-8-9(13)12(15)7-4-2-1-3-6(7)11(8)14;1-3-7-8-4-2-6-9(7)5-1/h1-4,15H;1-6H2