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

Systemtic Name: N,N-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-amine Openeye Name: N,N-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-amine CAS Name: N,N-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-pyridin-1-iumamine IUPAC Name: N,N-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-4-yl]amine Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N3O4/c1-17(2)14-3-5-18(6-4-14)9-12-7-15(19(20)21)8-13-10-22-11-23-16(12)13/h3-8H,9-11H2,1-2H3/q+1