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

Systemtic Name: 1-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-yl]ethanone Formula: C16H15N2O5+ MolecularWeight: 315.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H15N2O5/c1-11(19)12-3-2-4-17(7-12)8-13-5-15(18(20)21)6-14-9-22-10-23-16(13)14/h2-7H,8-10H2,1H3/q+1