2-(2,2-dimethylpropyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(2,2-dimethylpropyl)-1H-benzimidazol-3-ium Openeye Name: 2-(2,2-dimethylpropyl)-1H-benzimidazol-3-ium CAS Name: 2-(2,2-dimethylpropyl)-1H-benzimidazol-3-ium IUPAC Name: 2-(2,2-dimethylpropyl)-1H-benzimidazol-3-ium Traditional Name: 2-neopentyl-1H-benzimidazol-3-ium Formula: C12H17N2+ MolecularWeight: 189.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C)CC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C12H16N2/c1-12(2,3)8-11-13-9-6-4-5-7-10(9)14-11/h4-7H,8H2,1-3H3,(H,13,14)/p+1