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

Systemtic Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Openeye Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium CAS Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium IUPAC Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Traditional Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Formula: C15H15N2O4+ MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H15N2O4/c1-11-2-4-16(5-3-11)8-12-6-14(17(18)19)7-13-9-20-10-21-15(12)13/h2-7H,8-10H2,1H3/q+1