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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)pyridin-1-ium Openeye Name: 4-benzyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)pyridin-1-ium IUPAC Name: 4-benzyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Traditional Name: 4-benzyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Formula: C21H19N2O4+ MolecularWeight: 363.38656

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N2O4/c24-23(25)20-11-18(21-19(12-20)14-26-15-27-21)13-22-8-6-17(7-9-22)10-16-4-2-1-3-5-16/h1-9,11-12H,10,13-15H2/q+1