5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxidanidyl-benzimidazol-1-ium 1-oxide

Systemtic Name: 5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxidanidyl-benzimidazol-1-ium 1-oxide Openeye Name: 5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide CAS Name: 5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide IUPAC Name: 5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide Traditional Name: 5-(1,3-dioxolan-2-yl)-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=C([N+]1=O)C=CC(=C2)C3OCCO3)[O-])C

Isomeric SMILES

CC1(N(C2=C([N+]1=O)C=CC(=C2)C3OCCO3)[O-])C

InChI

InChI=1S/C12H14N2O4/c1-12(2)13(15)9-4-3-8(7-10(9)14(12)16)11-17-5-6-18-11/h3-4,7,11H,5-6H2,1-2H3