2,2-dimethyl-3-oxidanylidene-1H-benzimidazol-3-ium-4-amine

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-1H-benzimidazol-3-ium-4-amine Openeye Name: 2,2-dimethyl-3-oxo-1H-benzimidazol-3-ium-4-amine CAS Name: 2,2-dimethyl-3-oxo-1H-benzimidazol-3-ium-4-amine IUPAC Name: 2,2-dimethyl-3-oxo-1H-benzimidazol-3-ium-4-amine Traditional Name: (3-keto-2,2-dimethyl-1H-benzimidazol-3-ium-4-yl)amine Formula: C9H12N3O+ MolecularWeight: 178.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=C([N+]1=O)C(=CC=C2)N)C

Isomeric SMILES

CC1(NC2=C([N+]1=O)C(=CC=C2)N)C

InChI

InChI=1S/C9H12N3O/c1-9(2)11-7-5-3-4-6(10)8(7)12(9)13/h3-5,11H,10H2,1-2H3/q+1