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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-propyl-pyridin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-propyl-pyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-propylpyridin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-propylpyridin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-propyl-pyridin-1-ium Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H19N2O4/c1-2-3-13-4-6-18(7-5-13)10-14-8-16(19(20)21)9-15-11-22-12-23-17(14)15/h4-9H,2-3,10-12H2,1H3/q+1