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

Systemtic Name: 4-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Openeye Name: 4-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium CAS Name: 4-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium IUPAC Name: 4-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Traditional Name: 4-ethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H17N2O4/c1-2-12-3-5-17(6-4-12)9-13-7-15(18(19)20)8-14-10-21-11-22-16(13)14/h3-8H,2,9-11H2,1H3/q+1