2-(2-oxidanidylisoquinolin-2-ium-3-yl)pyrazole-3,4-diamine

Systemtic Name: 2-(2-oxidanidylisoquinolin-2-ium-3-yl)pyrazole-3,4-diamine Openeye Name: 2-(2-oxidoisoquinolin-2-ium-3-yl)pyrazole-3,4-diamine CAS Name: 2-(2-oxido-3-isoquinolin-2-iumyl)pyrazole-3,4-diamine IUPAC Name: 2-(2-oxidoisoquinolin-2-ium-3-yl)pyrazole-3,4-diamine Traditional Name: [4-amino-2-(2-oxidoisoquinolin-2-ium-3-yl)pyrazol-3-yl]amine Formula: C12H11N5O MolecularWeight: 241.24864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C(=CC2=C1)N3C(=C(C=N3)N)N)[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C(=CC2=C1)N3C(=C(C=N3)N)N)[O-]

InChI

InChI=1S/C12H11N5O/c13-10-6-15-17(12(10)14)11-5-8-3-1-2-4-9(8)7-16(11)18/h1-7H,13-14H2