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

Systemtic Name: 2,2-dimethyl-1-oxidanylidene-3H-benzimidazol-1-ium-4-amine Openeye Name: 2,2-dimethyl-1-oxo-3H-benzimidazol-1-ium-4-amine CAS Name: 2,2-dimethyl-1-oxo-3H-benzimidazol-1-ium-4-amine IUPAC Name: 2,2-dimethyl-1-oxo-3H-benzimidazol-1-ium-4-amine Traditional Name: (1-keto-2,2-dimethyl-3H-benzimidazol-1-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=C2N)C

Isomeric SMILES

CC1(NC2=C([N+]1=O)C=CC=C2N)C

InChI

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