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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-pyridin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-pyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenylpyridin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenylpyridin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-phenyl-pyridin-1-ium Formula: C20H17N2O4+ MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=CC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=CC(=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N2O4/c23-22(24)19-9-17(20-18(10-19)13-25-14-26-20)12-21-8-4-7-16(11-21)15-5-2-1-3-6-15/h1-11H,12-14H2/q+1