5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-3-oxidanidyl-benzimidazol-1-ium 1-oxide

Systemtic Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-3-oxidanidyl-benzimidazol-1-ium 1-oxide Openeye Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide CAS Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide IUPAC Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide Traditional Name: 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-2,2-dimethyl-3-oxido-benzimidazol-1-ium 1-oxide Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=C([N+]1=O)C=CC(=C2)C=CC3=CC4=C(C=C3)OCO4)[O-])C

Isomeric SMILES

CC1(N(C2=C([N+]1=O)C=CC(=C2)/C=C/C3=CC4=C(C=C3)OCO4)[O-])C

InChI

InChI=1S/C18H16N2O4/c1-18(2)19(21)14-7-5-12(9-15(14)20(18)22)3-4-13-6-8-16-17(10-13)24-11-23-16/h3-10H,11H2,1-2H3/b4-3+