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

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium-3-carboxamide chloride Formula: C15H14ClN3O5 MolecularWeight: 351.74176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=CC(=C3)C(=O)N)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)C[N+]3=CC=CC(=C3)C(=O)N)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H13N3O5.ClH/c16-15(19)10-2-1-3-17(6-10)7-11-4-13(18(20)21)5-12-8-22-9-23-14(11)12;/h1-6H,7-9H2,(H-,16,19);1H