2,3-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium

Systemtic Name: 2,3-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Openeye Name: 2,3-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium CAS Name: 2,3-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium IUPAC Name: 2,3-dimethyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium Traditional Name: 2,3-dimethyl-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:

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

Isomeric SMILES

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

InChI

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