1-cyano-2-(2-methylbutan-2-yl)-3-(1-oxidanidylpyridin-1-ium-3-yl)guanidine

Systemtic Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-oxidanidylpyridin-1-ium-3-yl)guanidine Openeye Name: 1-cyano-2-(1,1-dimethylpropyl)-3-(1-oxidopyridin-1-ium-3-yl)guanidine CAS Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-oxido-3-pyridin-1-iumyl)guanidine IUPAC Name: 1-cyano-2-(2-methylbutan-2-yl)-3-(1-oxidopyridin-1-ium-3-yl)guanidine Traditional Name: 2-tert-amyl-1-cyano-3-(1-oxidopyridin-1-ium-3-yl)guanidine Formula: C12H17N5O MolecularWeight: 247.29628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC#N)NC1=C[N+](=CC=C1)[O-]

Isomeric SMILES

CCC(C)(C)N=C(NC#N)NC1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C12H17N5O/c1-4-12(2,3)16-11(14-9-13)15-10-6-5-7-17(18)8-10/h5-8H,4H2,1-3H3,(H2,14,15,16)