1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine bromide

Systemtic Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine bromide Openeye Name: 1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-amine bromide CAS Name: 1-[(2,3-dimethoxy-7-nitro-5-quinoxalinyl)methyl]-4-pyridin-1-iumamine bromide IUPAC Name: 1-[(2,3-dimethoxy-7-nitroquinoxalin-5-yl)methyl]pyridin-1-ium-4-amine bromide Traditional Name: [1-[(2,3-dimethoxy-7-nitro-quinoxalin-5-yl)methyl]pyridin-1-ium-4-yl]amine bromide Formula: C16H16BrN5O4 MolecularWeight: 422.23334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C[N+]3=CC=C(C=C3)N)N=C1OC.[Br-]

Isomeric SMILES

COC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])C[N+]3=CC=C(C=C3)N)N=C1OC.[Br-]

InChI

InChI=1S/C16H15N5O4.BrH/c1-24-15-16(25-2)19-14-10(9-20-5-3-11(17)4-6-20)7-12(21(22)23)8-13(14)18-15;/h3-8,17H,9H2,1-2H3;1H