1-ethenyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-3-ium

Systemtic Name: 1-ethenyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-3-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-vinyl-benzimidazol-1-ium CAS Name: 1-ethenyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-3-ium IUPAC Name: 1-ethenyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzimidazol-3-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-vinyl-benzimidazol-1-ium Formula: C18H16N3O4+ MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C=[N+](C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C=CN1C=[N+](C2=CC=CC=C21)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H16N3O4/c1-2-19-11-20(17-6-4-3-5-16(17)19)9-13-7-15(21(22)23)8-14-10-24-12-25-18(13)14/h2-8,11H,1,9-10,12H2/q+1