2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium Formula: C18H15N2O4+ MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N2O4/c21-20(22)17-7-15(18-16(8-17)11-23-12-24-18)10-19-6-5-13-3-1-2-4-14(13)9-19/h1-9H,10-12H2/q+1